1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one

C78H71ClN12O6 — CID 161224386

IUPAC1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c3cnccc32)C1
InChIInChI=1S/C27H26N4O2.C26H24N4O2.C25H21ClN4O2/c1-3-26(32)30-15-5-7-21(18-30)31-25-13-14-28-17-24(25)27(29-31)20-9-11-22(12-10-20)33-23-8-4-6-19(2)16-23;1-3-25(31)29-14-12-20(17-29)30-24-11-13-27-16-23(24)26(28-30)19-7-9-21(10-8-19)32-22-6-4-5-18(2)15-22;1-2-24(31)29-13-11-18(16-29)30-22-10-12-27-15-20(22)25(28-30)17-8-9-23(21(26)14-17)32-19-6-4-3-5-7-19/h3-4,6,8-14,16-17,21H,1,5,7,15,18H2,2H3;3-11,13,15-16,20H,1,12,14,17H2,2H3;2-10,12,14-15,18H,1,11,13,16H2/t21-;20-;18-/m111/s1
InChIKeyUXXUSFCWFLBBRU-PFDGWAFYSA-N
MW1307.96 g/mol
LogP16.21
Rot. Bonds15

About 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 161224386) has the molecular formula C78H71ClN12O6 and a molecular weight of 1307.96 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID161224386
Molecular FormulaC78H71ClN12O6
Molecular Weight1307.96 g/mol
Exact Mass1306.53
IUPAC Name1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c3cnccc32)C1
InChIInChI=1S/C27H26N4O2.C26H24N4O2.C25H21ClN4O2/c1-3-26(32)30-15-5-7-21(18-30)31-25-13-14-28-17-24(25)27(29-31)20-9-11-22(12-10-20)33-23-8-4-6-19(2)16-23;1-3-25(31)29-14-12-20(17-29)30-24-11-13-27-16-23(24)26(28-30)19-7-9-21(10-8-19)32-22-6-4-5-18(2)15-22;1-2-24(31)29-13-11-18(16-29)30-22-10-12-27-15-20(22)25(28-30)17-8-9-23(21(26)14-17)32-19-6-4-3-5-7-19/h3-4,6,8-14,16-17,21H,1,5,7,15,18H2,2H3;3-11,13,15-16,20H,1,12,14,17H2,2H3;2-10,12,14-15,18H,1,11,13,16H2/t21-;20-;18-/m111/s1
InChIKeyUXXUSFCWFLBBRU-PFDGWAFYSA-N
XLogP16.21
TPSA180.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.96
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

1-[(3R)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130247398
(R)-1-(3-(3-(4-(2-chloro-3-fluorophenoxy)phenyl)-2H-pyrazolo[4,3-c]pyridin-2-yl)piperidin-1-yl)prop-2-en-1-one
CID 130271778
(S)-1-(3-(3-(4-(2-chloro-3-fluorophenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 130271803
(R)-1-(3-(3-(4-(2-chloro-3-fluorophenoxy)phenyl)-2H-pyrazolo[4,3-c]pyridin-2-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130271860
(R)-1-(3-(3-(3-chloro-4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130248038
(S)-1-(3-(3-(3-chloro-4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidin-1-yl)prop-2-en-1-one
CID 139465237
1-[3-[3-[4-(2-Chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130247399
1-[(3R)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130247758
1-[(3R)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465218
1-[(3S)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465297
1-[(3S)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 139474094
1-[(3S)-3-[3-[4-(2-chloro-3-fluorophenoxy)phenyl]pyrazolo[4,3-c]pyridin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 139474140

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 161224386) is 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c3cnccc32)C1.
What is the InChIKey of 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is UXXUSFCWFLBBRU-PFDGWAFYSA-N. The full InChI is InChI=1S/C27H26N4O2.C26H24N4O2.C25H21ClN4O2/c1-3-26(32)30-15-5-7-21(18-30)31-25-13-14-28-17-24(25)27(29-31)20-9-11-22(12-10-20)33-23-8-4-6-19(2)16-23;1-3-25(31)29-14-12-20(17-29)30-24-11-13-27-16-23(24)26(28-30)19-7-9-21(10-8-19)32-22-6-4-5-18(2)15-22;1-2-24(31)29-13-11-18(16-29)30-22-10-12-27-15-20(22)25(28-30)17-8-9-23(21(26)14-17)32-19-6-4-3-5-7-19/h3-4,6,8-14,16-17,21H,1,5,7,15,18H2,2H3;3-11,13,15-16,20H,1,12,14,17H2,2H3;2-10,12,14-15,18H,1,11,13,16H2/t21-;20-;18-/m111/s1.
What are the key properties of 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 1307.96 g/mol, XLogP of 16.21, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(3-chloro-4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 161224386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).