1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine

C21H22N6O — CID 178061816

IUPAC1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc([C@@H]2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C21H22N6O/c1-26-20(12-17(25-26)14-7-4-3-5-8-14)23-19-11-15(18-9-6-10-28-18)16-13-22-27(2)21(16)24-19/h3-5,7-8,11-13,18H,6,9-10H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyCBXOOVOXEQWFON-SFHVURJKSA-N
MW374.45 g/mol
LogP3.96
Rot. Bonds4

About 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine

1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 178061816) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
PubChem CID178061816
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc([C@@H]2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C21H22N6O/c1-26-20(12-17(25-26)14-7-4-3-5-8-14)23-19-11-15(18-9-6-10-28-18)16-13-22-27(2)21(16)24-19/h3-5,7-8,11-13,18H,6,9-10H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyCBXOOVOXEQWFON-SFHVURJKSA-N
XLogP3.96
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol
CID 178061654
1-methyl-4-N-[(3R)-3-methyloxolan-3-yl]-6-N-(1-methyl-3-phenylpyrazol-5-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061642
(5R)-5-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-3-ol
CID 178061560
6-N-[3-(3-chlorophenyl)-1-methylpyrazol-5-yl]-1-methyl-4-N-[(3S,4S)-4-methyloxolan-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061518
4-cyclopropyl-1-methyl-N-(1-phenylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-6-amine
CID 178061848
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
[(3R,4S)-3,4-dihydroxy-3-[[1-methyl-6-[[1-methyl-3-(3-methylphenyl)pyrazol-5-yl]amino]pyrazolo[5,4-b]pyridin-4-yl]amino]oxan-4-yl] hypoiodite
CID 178061842
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
4-N-cyclopentyl-1-methyl-6-N-[1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061684
N-methyl-2-(oxolan-2-yl)-6-phenylpyrimidin-4-amine
CID 65328775
4-methoxy-1-methyl-N-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061656
4-methoxy-1-methyl-N-[1-methyl-3-[6-(methylamino)-2-pyridinyl]pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061687

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine (CID 178061816) is 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine is Cn1nc(-c2ccccc2)cc1Nc1cc([C@@H]2CCCO2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is CBXOOVOXEQWFON-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26-20(12-17(25-26)14-7-4-3-5-8-14)23-19-11-15(18-9-6-10-28-18)16-13-22-27(2)21(16)24-19/h3-5,7-8,11-13,18H,6,9-10H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine?
1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 374.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 178061816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).