3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one

C31H27ClFN7O3 — CID 164559758

IUPAC3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C3CC3)cn(CCOCc3ccccc3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21
InChIInChI=1S/C31H27ClFN7O3/c1-38-28-26(32)24(43-25-16-35-40-11-5-8-22(33)27(25)40)15-34-29(28)37-31(38)36-23-14-21(20-9-10-20)17-39(30(23)41)12-13-42-18-19-6-3-2-4-7-19/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36,37)
InChIKeyYOCHMDDBNQRMFG-UHFFFAOYSA-N
MW600.05 g/mol
LogP6.20
Rot. Bonds10

About 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one

3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one (PubChem CID 164559758) has the molecular formula C31H27ClFN7O3 and a molecular weight of 600.05 g/mol. Its IUPAC name is 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one
PubChem CID164559758
Molecular FormulaC31H27ClFN7O3
Molecular Weight600.05 g/mol
Exact Mass599.18
IUPAC Name3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C3CC3)cn(CCOCc3ccccc3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21
InChIInChI=1S/C31H27ClFN7O3/c1-38-28-26(32)24(43-25-16-35-40-11-5-8-22(33)27(25)40)15-34-29(28)37-31(38)36-23-14-21(20-9-10-20)17-39(30(23)41)12-13-42-18-19-6-3-2-4-7-19/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36,37)
InChIKeyYOCHMDDBNQRMFG-UHFFFAOYSA-N
XLogP6.20
TPSA100.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.05
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one with MolForge

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Related Compounds

1-[(3R)-3-[4-amino-3-[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203720
US10544143, Example 577
CID 138686612
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-4-ylbenzamide
CID 72735063
4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-N-pyridin-3-ylbenzamide
CID 72735064
N-[3-methoxy-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67259704
US9914731, Ex. No. 118
CID 118203854
US9914731, Ex. No. 90
CID 118203899
US9914731, Ex. No. 124
CID 145866401
US9914731, Ex. No. 130
CID 145866407
US9914731, Ex. No. 131
CID 145866408
US11691963, Example I-150
CID 157041778
US11691963, Example I-146
CID 157041942

Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one?
The IUPAC name of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one (CID 164559758) is 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one is Cn1c(Nc2cc(C3CC3)cn(CCOCc3ccccc3)c2=O)nc2ncc(Oc3cnn4cccc(F)c34)c(Cl)c21.
What is the InChIKey of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one?
The InChIKey is YOCHMDDBNQRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClFN7O3/c1-38-28-26(32)24(43-25-16-35-40-11-5-8-22(33)27(25)40)15-34-29(28)37-31(38)36-23-14-21(20-9-10-20)17-39(30(23)41)12-13-42-18-19-6-3-2-4-7-19/h2-8,11,14-17,20H,9-10,12-13,18H2,1H3,(H,34,36,37).
What are the key properties of 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one?
3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one has a molecular weight of 600.05 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-(2-phenylmethoxyethyl)pyridin-2-one is sourced from PubChem (CID 164559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).