N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H17N9 — CID 56911863

IUPACN-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2c(-c3cnn(-c4nn[nH]n4)c3)cc(NC3CCCC3)nc2[nH]1
InChIInChI=1S/C16H17N9/c1-2-4-11(3-1)19-14-7-13(12-5-6-17-15(12)20-14)10-8-18-25(9-10)16-21-23-24-22-16/h5-9,11H,1-4H2,(H2,17,19,20)(H,21,22,23,24)
InChIKeyBHWZURCHBPCZBC-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.28
Rot. Bonds4

About N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56911863) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56911863
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2c(-c3cnn(-c4nn[nH]n4)c3)cc(NC3CCCC3)nc2[nH]1
InChIInChI=1S/C16H17N9/c1-2-4-11(3-1)19-14-7-13(12-5-6-17-15(12)20-14)10-8-18-25(9-10)16-21-23-24-22-16/h5-9,11H,1-4H2,(H2,17,19,20)(H,21,22,23,24)
InChIKeyBHWZURCHBPCZBC-UHFFFAOYSA-N
XLogP2.28
TPSA112.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 56891862
6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
CID 70732467
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56901398
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 10110805
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033
N-[(1R)-1-[4-[6-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethyl]acetamide
CID 95728145
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70726243
3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
CID 143598135
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
N-cyclohexyl-2H-tetrazol-5-amine
CID 67803825

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56911863) is N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc2c(-c3cnn(-c4nn[nH]n4)c3)cc(NC3CCCC3)nc2[nH]1.
What is the InChIKey of N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is BHWZURCHBPCZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-2-4-11(3-1)19-14-7-13(12-5-6-17-15(12)20-14)10-8-18-25(9-10)16-21-23-24-22-16/h5-9,11H,1-4H2,(H2,17,19,20)(H,21,22,23,24).
What are the key properties of N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 335.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56911863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).