2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide

C19H24N6O — CID 56891862

IUPAC2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1cc(NC2CCCC2)nc2[nH]ccc12
InChIInChI=1S/C19H24N6O/c1-11-18(12(2)25(24-11)10-16(20)26)15-9-17(22-13-5-3-4-6-13)23-19-14(15)7-8-21-19/h7-9,13H,3-6,10H2,1-2H3,(H2,20,26)(H2,21,22,23)
InChIKeyIZKVJHAKDPYOFZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide

2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 56891862) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID56891862
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1-c1cc(NC2CCCC2)nc2[nH]ccc12
InChIInChI=1S/C19H24N6O/c1-11-18(12(2)25(24-11)10-16(20)26)15-9-17(22-13-5-3-4-6-13)23-19-14(15)7-8-21-19/h7-9,13H,3-6,10H2,1-2H3,(H2,20,26)(H2,21,22,23)
InChIKeyIZKVJHAKDPYOFZ-UHFFFAOYSA-N
XLogP2.88
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 56891862) is 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(N)=O)c(C)c1-c1cc(NC2CCCC2)nc2[nH]ccc12.
What is the InChIKey of 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is IZKVJHAKDPYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-11-18(12(2)25(24-11)10-16(20)26)15-9-17(22-13-5-3-4-6-13)23-19-14(15)7-8-21-19/h7-9,13H,3-6,10H2,1-2H3,(H2,20,26)(H2,21,22,23).
What are the key properties of 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide?
2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 56891862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).