3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine

C35H41N15 — CID 121421060

IUPAC3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(NCCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(NCCCn2ccnc2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H41N15/c1-22-7-9-28-30(34(45-49(28)24(22)3)40-11-5-15-47-17-13-38-20-47)42-32-26(36)19-27(37)33(44-32)43-31-29-10-8-23(2)25(4)50(29)46-35(31)41-12-6-16-48-18-14-39-21-48/h7-10,13-14,17-21,36H,5-6,11-12,15-16,37H2,1-4H3,(H,40,45)(H,41,46)(H,42,43,44)/b36-26+
InChIKeyGUCGOUIXVBMZTM-LZBRRTOVSA-N
MW671.82 g/mol
LogP5.03
Rot. Bonds12

About 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine

3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 121421060) has the molecular formula C35H41N15 and a molecular weight of 671.82 g/mol. Its IUPAC name is 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID121421060
Molecular FormulaC35H41N15
Molecular Weight671.82 g/mol
Exact Mass671.37
IUPAC Name3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(NCCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(NCCCn2ccnc2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H41N15/c1-22-7-9-28-30(34(45-49(28)24(22)3)40-11-5-15-47-17-13-38-20-47)42-32-26(36)19-27(37)33(44-32)43-31-29-10-8-23(2)25(4)50(29)46-35(31)41-12-6-16-48-18-14-39-21-48/h7-10,13-14,17-21,36H,5-6,11-12,15-16,37H2,1-4H3,(H,40,45)(H,41,46)(H,42,43,44)/b36-26+
InChIKeyGUCGOUIXVBMZTM-LZBRRTOVSA-N
XLogP5.03
TPSA180.92 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500671.82
LogP ≤ 55.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine with MolForge

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Related Compounds

2-[[3-[[5-amino-6-[2-[bis(2-hydroxyethyl)amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 121421019
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421007
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
CID 89351075
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
CID 80903292
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine (CID 121421060) is 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(NCCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(NCCCn2ccnc2)nn2c(C)c(C)ccc12.
What is the InChIKey of 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is GUCGOUIXVBMZTM-LZBRRTOVSA-N. The full InChI is InChI=1S/C35H41N15/c1-22-7-9-28-30(34(45-49(28)24(22)3)40-11-5-15-47-17-13-38-20-47)42-32-26(36)19-27(37)33(44-32)43-31-29-10-8-23(2)25(4)50(29)46-35(31)41-12-6-16-48-18-14-39-21-48/h7-10,13-14,17-21,36H,5-6,11-12,15-16,37H2,1-4H3,(H,40,45)(H,41,46)(H,42,43,44)/b36-26+.
What are the key properties of 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine?
3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 671.82 g/mol, XLogP of 5.03, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 121421060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).