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

C22H19ClN8O2 — CID 164559877

IUPAC3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)c1=O
InChIInChI=1S/C22H19ClN8O2/c1-29-11-13(12-3-4-12)7-14(21(29)32)27-22-28-20-19(30(22)2)18(23)17(9-25-20)33-16-10-26-31-6-5-24-8-15(16)31/h5-12H,3-4H2,1-2H3,(H,25,27,28)
InChIKeyFEQBSPMWHUEPSZ-UHFFFAOYSA-N
MW462.90 g/mol
LogP3.78
Rot. Bonds5

About 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-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-methylpyridin-2-one (PubChem CID 164559877) has the molecular formula C22H19ClN8O2 and a molecular weight of 462.90 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-methylpyridin-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-methylpyridin-2-one
PubChem CID164559877
Molecular FormulaC22H19ClN8O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC Name3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4cnn5ccncc45)c(Cl)c3n2C)c1=O
InChIInChI=1S/C22H19ClN8O2/c1-29-11-13(12-3-4-12)7-14(21(29)32)27-22-28-20-19(30(22)2)18(23)17(9-25-20)33-16-10-26-31-6-5-24-8-15(16)31/h5-12H,3-4H2,1-2H3,(H,25,27,28)
InChIKeyFEQBSPMWHUEPSZ-UHFFFAOYSA-N
XLogP3.78
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
5-cyclopropyl-1-[(1S,2S)-2-hydroxycyclobutyl]-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyridin-2-one
CID 164559718
5-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 164560198
5-cyclopropyl-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-[(1R,2R)-2-phenylmethoxycyclobutyl]pyridin-2-one
CID 167134791
3-[5-tert-butyl-3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]pyrazol-1-yl]cyclobutan-1-ol
CID 164558531
7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164559415
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
1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one
CID 164560177
7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164559559
3-[[7-chloro-6-[(1E)-1-(3-chloro-1H-pyrazin-1-ium-2-ylidene)-2-iminoethoxy]-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 164560338
3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558772
5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
CID 167599263

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-methylpyridin-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-methylpyridin-2-one (CID 164559877) is 3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-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-methylpyridin-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-methylpyridin-2-one is 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-methylpyridin-2-one?
The InChIKey is FEQBSPMWHUEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2/c1-29-11-13(12-3-4-12)7-14(21(29)32)27-22-28-20-19(30(22)2)18(23)17(9-25-20)33-16-10-26-31-6-5-24-8-15(16)31/h5-12H,3-4H2,1-2H3,(H,25,27,28).
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-methylpyridin-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-methylpyridin-2-one has a molecular weight of 462.90 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 10 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-methylpyridin-2-one is sourced from PubChem (CID 164559877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).