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

C24H25N9O — CID 178061706

IUPAC6-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
SMILESCn1nc(-c2ccc3ccn(C4CC4)c3n2)cc1Nc1cc(NC2COC2)c2cnn(C)c2n1
InChIInChI=1S/C24H25N9O/c1-31-22(10-20(30-31)18-6-3-14-7-8-33(16-4-5-16)23(14)27-18)28-21-9-19(26-15-12-34-13-15)17-11-25-32(2)24(17)29-21/h3,6-11,15-16H,4-5,12-13H2,1-2H3,(H2,26,28,29)
InChIKeyCFPQSOFDUOSVAU-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.61
Rot. Bonds6

About 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

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 (PubChem CID 178061706) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID178061706
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name6-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
SMILESCn1nc(-c2ccc3ccn(C4CC4)c3n2)cc1Nc1cc(NC2COC2)c2cnn(C)c2n1
InChIInChI=1S/C24H25N9O/c1-31-22(10-20(30-31)18-6-3-14-7-8-33(16-4-5-16)23(14)27-18)28-21-9-19(26-15-12-34-13-15)17-11-25-32(2)24(17)29-21/h3,6-11,15-16H,4-5,12-13H2,1-2H3,(H2,26,28,29)
InChIKeyCFPQSOFDUOSVAU-UHFFFAOYSA-N
XLogP3.61
TPSA99.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
(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-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061816
4-methoxy-1-methyl-N-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061656
[(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
4-methoxy-1-methyl-N-[1-methyl-3-[6-(methylamino)-2-pyridinyl]pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061687
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-(4-methylpyrimidin-2-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061700

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(-c2ccc3ccn(C4CC4)c3n2)cc1Nc1cc(NC2COC2)c2cnn(C)c2n1.
What is the InChIKey of 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?
The InChIKey is CFPQSOFDUOSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-31-22(10-20(30-31)18-6-3-14-7-8-33(16-4-5-16)23(14)27-18)28-21-9-19(26-15-12-34-13-15)17-11-25-32(2)24(17)29-21/h3,6-11,15-16H,4-5,12-13H2,1-2H3,(H2,26,28,29).
What are the key properties of 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?
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 has a molecular weight of 455.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178061706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).