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

C22H25N7O — CID 178061642

IUPAC1-methyl-4-N-[(3R)-3-methyloxolan-3-yl]-6-N-(1-methyl-3-phenylpyrazol-5-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(N[C@]2(C)CCOC2)c2cnn(C)c2n1
InChIInChI=1S/C22H25N7O/c1-22(9-10-30-14-22)26-18-11-19(25-21-16(18)13-23-29(21)3)24-20-12-17(27-28(20)2)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H2,24,25,26)/t22-/m1/s1
InChIKeyGLTMHEXGBXXZPR-JOCHJYFZSA-N
MW403.49 g/mol
LogP3.70
Rot. Bonds5

About 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

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 (PubChem CID 178061642) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-methyl-4-N-[(3R)-3-methyloxolan-3-yl]-6-N-(1-methyl-3-phenylpyrazol-5-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
PubChem CID178061642
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name1-methyl-4-N-[(3R)-3-methyloxolan-3-yl]-6-N-(1-methyl-3-phenylpyrazol-5-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(N[C@]2(C)CCOC2)c2cnn(C)c2n1
InChIInChI=1S/C22H25N7O/c1-22(9-10-30-14-22)26-18-11-19(25-21-16(18)13-23-29(21)3)24-20-12-17(27-28(20)2)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H2,24,25,26)/t22-/m1/s1
InChIKeyGLTMHEXGBXXZPR-JOCHJYFZSA-N
XLogP3.70
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(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-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061816
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
(5R)-5-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-3-ol
CID 178061560
(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-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061623
6-N-[3-(1-cyclopropylpyrrolo[2,3-b]pyridin-6-yl)-1-methylpyrazol-5-yl]-1-methyl-4-N-(oxetan-3-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061706
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(-c2ccccc2)cc1Nc1cc(N[C@]2(C)CCOC2)c2cnn(C)c2n1.
What is the InChIKey of 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?
The InChIKey is GLTMHEXGBXXZPR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N7O/c1-22(9-10-30-14-22)26-18-11-19(25-21-16(18)13-23-29(21)3)24-20-12-17(27-28(20)2)15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H2,24,25,26)/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 403.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178061642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).