4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C20H22N8 — CID 56901398

IUPAC4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)cc(-n2cccn2)n1
InChIInChI=1S/C20H22N8/c1-13-24-17(12-19(25-13)28-10-2-6-23-28)16-11-18(26-14-3-7-21-8-4-14)27-20-15(16)5-9-22-20/h2,5-6,9-12,14,21H,3-4,7-8H2,1H3,(H2,22,26,27)
InChIKeyASSCYYNITAQGGC-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.68
Rot. Bonds4

About 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56901398) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56901398
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)cc(-n2cccn2)n1
InChIInChI=1S/C20H22N8/c1-13-24-17(12-19(25-13)28-10-2-6-23-28)16-11-18(26-14-3-7-21-8-4-14)27-20-15(16)5-9-22-20/h2,5-6,9-12,14,21H,3-4,7-8H2,1H3,(H2,22,26,27)
InChIKeyASSCYYNITAQGGC-UHFFFAOYSA-N
XLogP2.68
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70726243
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
N-[(1R)-1-[4-[6-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethyl]acetamide
CID 95728145
N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70729671
N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911863
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
4-phenyl-N-piperidin-4-ylquinolin-2-amine
CID 170459367
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
2-methyl-N-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 155926294
6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
CID 70732467

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56901398) is 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)cc(-n2cccn2)n1.
What is the InChIKey of 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ASSCYYNITAQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-13-24-17(12-19(25-13)28-10-2-6-23-28)16-11-18(26-14-3-7-21-8-4-14)27-20-15(16)5-9-22-20/h2,5-6,9-12,14,21H,3-4,7-8H2,1H3,(H2,22,26,27).
What are the key properties of 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 374.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56901398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).