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

C24H27N9 — CID 178061684

IUPAC4-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
SMILESCn1nc(-c2ccc3ccn(C)c3n2)cc1Nc1cc(NC2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C24H27N9/c1-31-11-10-15-8-9-18(27-23(15)31)20-13-22(32(2)30-20)28-21-12-19(26-16-6-4-5-7-16)17-14-25-33(3)24(17)29-21/h8-14,16H,4-7H2,1-3H3,(H2,26,28,29)
InChIKeyIKRJBEFZWDBUAU-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.35
Rot. Bonds5

About 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

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 (PubChem CID 178061684) has the molecular formula C24H27N9 and a molecular weight of 441.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID178061684
Molecular FormulaC24H27N9
Molecular Weight441.54 g/mol
Exact Mass441.24
IUPAC Name4-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
SMILESCn1nc(-c2ccc3ccn(C)c3n2)cc1Nc1cc(NC2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C24H27N9/c1-31-11-10-15-8-9-18(27-23(15)31)20-13-22(32(2)30-20)28-21-12-19(26-16-6-4-5-7-16)17-14-25-33(3)24(17)29-21/h8-14,16H,4-7H2,1-3H3,(H2,26,28,29)
InChIKeyIKRJBEFZWDBUAU-UHFFFAOYSA-N
XLogP4.35
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(-c2ccc3ccn(C)c3n2)cc1Nc1cc(NC2CCCC2)c2cnn(C)c2n1.
What is the InChIKey of 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?
The InChIKey is IKRJBEFZWDBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9/c1-31-11-10-15-8-9-18(27-23(15)31)20-13-22(32(2)30-20)28-21-12-19(26-16-6-4-5-7-16)17-14-25-33(3)24(17)29-21/h8-14,16H,4-7H2,1-3H3,(H2,26,28,29).
What are the key properties of 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?
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 has a molecular weight of 441.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178061684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).