3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one

C32H31ClN8O3 — CID 167134736

IUPAC3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one
SMILESCC(COCc1ccccc1)Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)c1=O
InChIInChI=1S/C32H31ClN8O3/c1-20(18-43-19-21-6-4-3-5-7-21)16-40-17-23(22-8-9-22)12-24(31(40)42)37-32-38-30-29(39(32)2)28(33)27(14-35-30)44-26-15-36-41-11-10-34-13-25(26)41/h3-7,10-15,17,20,22H,8-9,16,18-19H2,1-2H3,(H,35,37,38)
InChIKeyOLSXEMVDPPKTKF-UHFFFAOYSA-N
MW611.11 g/mol
LogP6.09
Rot. Bonds11

About 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one

3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one (PubChem CID 167134736) has the molecular formula C32H31ClN8O3 and a molecular weight of 611.11 g/mol. Its IUPAC name is 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one
PubChem CID167134736
Molecular FormulaC32H31ClN8O3
Molecular Weight611.11 g/mol
Exact Mass610.22
IUPAC Name3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one
SMILESCC(COCc1ccccc1)Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)c1=O
InChIInChI=1S/C32H31ClN8O3/c1-20(18-43-19-21-6-4-3-5-7-21)16-40-17-23(22-8-9-22)12-24(31(40)42)37-32-38-30-29(39(32)2)28(33)27(14-35-30)44-26-15-36-41-11-10-34-13-25(26)41/h3-7,10-15,17,20,22H,8-9,16,18-19H2,1-2H3,(H,35,37,38)
InChIKeyOLSXEMVDPPKTKF-UHFFFAOYSA-N
XLogP6.09
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500611.11
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one?
The IUPAC name of 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one (CID 167134736) is 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one?
The canonical SMILES for 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one is CC(COCc1ccccc1)Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)c1=O.
What is the InChIKey of 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one?
The InChIKey is OLSXEMVDPPKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN8O3/c1-20(18-43-19-21-6-4-3-5-7-21)16-40-17-23(22-8-9-22)12-24(31(40)42)37-32-38-30-29(39(32)2)28(33)27(14-35-30)44-26-15-36-41-11-10-34-13-25(26)41/h3-7,10-15,17,20,22H,8-9,16,18-19H2,1-2H3,(H,35,37,38).
What are the key properties of 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one?
3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one has a molecular weight of 611.11 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-(2-methyl-3-phenylmethoxypropyl)pyridin-2-one is sourced from PubChem (CID 167134736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).