2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide

C14H17N5O — CID 102773495

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCc3cccnc32)cn1
InChIInChI=1S/C14H17N5O/c1-15-13(20)9-19-8-11(7-17-19)18-12-5-4-10-3-2-6-16-14(10)12/h2-3,6-8,12,18H,4-5,9H2,1H3,(H,15,20)
InChIKeyIVVFHCLLKIYHOL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide

2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 102773495) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID102773495
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCc3cccnc32)cn1
InChIInChI=1S/C14H17N5O/c1-15-13(20)9-19-8-11(7-17-19)18-12-5-4-10-3-2-6-16-14(10)12/h2-3,6-8,12,18H,4-5,9H2,1H3,(H,15,20)
InChIKeyIVVFHCLLKIYHOL-UHFFFAOYSA-N
XLogP1.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
4-(Cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 50914031
N-[2-(1,2-dimethyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145848
4-[[(1R,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291627
4-[[(1R,3R)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291797
4-[[(1R,3S)-3-amino-2,2-dimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291981
4-[[(1S,2R)-2-fluoro-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68292196
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 102773495) is 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2CCc3cccnc32)cn1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is IVVFHCLLKIYHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-15-13(20)9-19-8-11(7-17-19)18-12-5-4-10-3-2-6-16-14(10)12/h2-3,6-8,12,18H,4-5,9H2,1H3,(H,15,20).
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 102773495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).