3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

C106H133ClN27O8+5 — CID 158097896

IUPAC3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
SMILESCC1=C(O)/C(=N/c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C=CC1=O.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=C(Cl)C(O)=CC2=O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCCC1
InChIInChI=1S/C22H27N5O2.C21H24ClN5O2.2C21H26N6O.C21H25N5O2/c1-16-19(28)10-9-17(21(16)29)24-20-18-8-4-5-12-26(18)25-22(20)23-11-15-27(2)13-6-3-7-14-27;1-27(10-5-2-6-11-27)12-8-23-21-20(17-7-3-4-9-26(17)25-21)24-16-13-15(22)18(28)14-19(16)29;1-27(12-5-2-6-13-27)14-10-23-21-20(19-7-3-4-11-26(19)25-21)24-18-9-8-16(28)15-17(18)22;1-27(12-5-2-6-13-27)14-10-23-21-20(18-7-3-4-11-26(18)25-21)24-17-9-8-16(22)15-19(17)28;1-26(12-5-2-6-13-26)14-10-22-21-20(18-7-3-4-11-25(18)24-21)23-17-9-8-16(27)15-19(17)28/h4-5,8-10,12H,3,6-7,11,13-15H2,1-2H3,(H-,23,25,28,29);3-4,7,9,13-14H,2,5-6,8,10-12H2,1H3,(H-,23,25,28,29);2*3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H2-,22,23,25,28);3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H-,22,24,27,28)/p+5/b24-17+;24-16+;24-18+;24-17+;23-17+
InChIKeyFOWSOQLMEBCPLS-GWFSHYCSSA-S
MW1948.86 g/mol
LogP14.91
Rot. Bonds25

About 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one

3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (PubChem CID 158097896) has the molecular formula C106H133ClN27O8+5 and a molecular weight of 1948.86 g/mol. Its IUPAC name is 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
PubChem CID158097896
Molecular FormulaC106H133ClN27O8+5
Molecular Weight1948.86 g/mol
Exact Mass1947.05
IUPAC Name3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
SMILESCC1=C(O)/C(=N/c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C=CC1=O.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=C(Cl)C(O)=CC2=O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCCC1
InChIInChI=1S/C22H27N5O2.C21H24ClN5O2.2C21H26N6O.C21H25N5O2/c1-16-19(28)10-9-17(21(16)29)24-20-18-8-4-5-12-26(18)25-22(20)23-11-15-27(2)13-6-3-7-14-27;1-27(10-5-2-6-11-27)12-8-23-21-20(17-7-3-4-9-26(17)25-21)24-16-13-15(22)18(28)14-19(16)29;1-27(12-5-2-6-13-27)14-10-23-21-20(19-7-3-4-11-26(19)25-21)24-18-9-8-16(28)15-17(18)22;1-27(12-5-2-6-13-27)14-10-23-21-20(18-7-3-4-11-26(18)25-21)24-17-9-8-16(22)15-19(17)28;1-26(12-5-2-6-13-26)14-10-22-21-20(18-7-3-4-11-25(18)24-21)23-17-9-8-16(27)15-19(17)28/h4-5,8-10,12H,3,6-7,11,13-15H2,1-2H3,(H-,23,25,28,29);3-4,7,9,13-14H,2,5-6,8,10-12H2,1H3,(H-,23,25,28,29);2*3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H2-,22,23,25,28);3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H-,22,24,27,28)/p+5/b24-17+;24-16+;24-18+;24-17+;23-17+
InChIKeyFOWSOQLMEBCPLS-GWFSHYCSSA-S
XLogP14.91
TPSA406.53 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.86
LogP ≤ 514.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Analyze 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?
The IUPAC name of 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one (CID 158097896) is 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one.
What is the SMILES notation for 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?
The canonical SMILES for 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is CC1=C(O)/C(=N/c2c(NCC[N+]3(C)CCCCC3)nn3ccccc23)C=CC1=O.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=C(Cl)C(O)=CC2=O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2N)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(=O)C=C2O)CCCCC1.C[N+]1(CCNc2nn3ccccc3c2/N=C2\C=CC(N)=CC2=O)CCCCC1.
What is the InChIKey of 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?
The InChIKey is FOWSOQLMEBCPLS-GWFSHYCSSA-S. The full InChI is InChI=1S/C22H27N5O2.C21H24ClN5O2.2C21H26N6O.C21H25N5O2/c1-16-19(28)10-9-17(21(16)29)24-20-18-8-4-5-12-26(18)25-22(20)23-11-15-27(2)13-6-3-7-14-27;1-27(10-5-2-6-11-27)12-8-23-21-20(17-7-3-4-9-26(17)25-21)24-16-13-15(22)18(28)14-19(16)29;1-27(12-5-2-6-13-27)14-10-23-21-20(19-7-3-4-11-26(19)25-21)24-18-9-8-16(28)15-17(18)22;1-27(12-5-2-6-13-27)14-10-23-21-20(18-7-3-4-11-26(18)25-21)24-17-9-8-16(22)15-19(17)28;1-26(12-5-2-6-13-26)14-10-22-21-20(18-7-3-4-11-25(18)24-21)23-17-9-8-16(27)15-19(17)28/h4-5,8-10,12H,3,6-7,11,13-15H2,1-2H3,(H-,23,25,28,29);3-4,7,9,13-14H,2,5-6,8,10-12H2,1H3,(H-,23,25,28,29);2*3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H2-,22,23,25,28);3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H-,22,24,27,28)/p+5/b24-17+;24-16+;24-18+;24-17+;23-17+.
What are the key properties of 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one?
3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one has a molecular weight of 1948.86 g/mol, XLogP of 14.91, 25 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;4-chloro-3-hydroxy-6-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;3-hydroxy-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-hydroxy-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one is sourced from PubChem (CID 158097896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).