7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine

C29H26ClF2N9O3 — CID 167134623

IUPAC7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc7n(n6)CCCC7(F)F)n(C)c5c4Cl)cnc32)cc1
InChIInChI=1S/C29H26ClF2N9O3/c1-39-24-23(30)20(14-33-25(24)36-28(39)35-22-12-21-29(31,32)9-4-10-40(21)37-22)44-18-11-19-26(34-13-18)41(38-27(19)43-3)15-16-5-7-17(42-2)8-6-16/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,33,35,36,37)
InChIKeyRGQDWPQRZQXKPE-UHFFFAOYSA-N
MW622.04 g/mol
LogP6.05
Rot. Bonds8

About 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine

7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 167134623) has the molecular formula C29H26ClF2N9O3 and a molecular weight of 622.04 g/mol. Its IUPAC name is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID167134623
Molecular FormulaC29H26ClF2N9O3
Molecular Weight622.04 g/mol
Exact Mass621.18
IUPAC Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc7n(n6)CCCC7(F)F)n(C)c5c4Cl)cnc32)cc1
InChIInChI=1S/C29H26ClF2N9O3/c1-39-24-23(30)20(14-33-25(24)36-28(39)35-22-12-21-29(31,32)9-4-10-40(21)37-22)44-18-11-19-26(34-13-18)41(38-27(19)43-3)15-16-5-7-17(42-2)8-6-16/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,33,35,36,37)
InChIKeyRGQDWPQRZQXKPE-UHFFFAOYSA-N
XLogP6.05
TPSA118.96 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.04
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

Tyk2-IN-14
CID 138560421
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
N-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-yl)-6-(4-(2-morpholinoethoxy)phenyl)imidazo[1,2-b]pyridazin-8-amine
CID 71526700
US9765058, Example 2-2-3
CID 86582841
US9765058, Example 2-2-5
CID 86582843
US10266548, Example 11-1
CID 86732441
US10266548, Example 4-12
CID 89488611
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032846
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
CID 156304012
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
7-[[5-[4-amino-5-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-methylquinolin-4-amine
CID 156304096

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine (CID 167134623) is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine is COc1ccc(Cn2nc(OC)c3cc(Oc4cnc5nc(Nc6cc7n(n6)CCCC7(F)F)n(C)c5c4Cl)cnc32)cc1.
What is the InChIKey of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is RGQDWPQRZQXKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF2N9O3/c1-39-24-23(30)20(14-33-25(24)36-28(39)35-22-12-21-29(31,32)9-4-10-40(21)37-22)44-18-11-19-26(34-13-18)41(38-27(19)43-3)15-16-5-7-17(42-2)8-6-16/h5-8,11-14H,4,9-10,15H2,1-3H3,(H,33,35,36,37).
What are the key properties of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine?
7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 622.04 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-6-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxy-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 167134623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).