(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine

C16H24N4 — CID 81386392

IUPAC(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCc1nn(C)c2ncc(CN[C@@H](C)C3CCCC3)cc12
InChIInChI=1S/C16H24N4/c1-11(14-6-4-5-7-14)17-9-13-8-15-12(2)19-20(3)16(15)18-10-13/h8,10-11,14,17H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyGFVVXWNETJVBKU-NSHDSACASA-N
MW272.40 g/mol
LogP2.95
Rot. Bonds4

About (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (PubChem CID 81386392) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
PubChem CID81386392
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCc1nn(C)c2ncc(CN[C@@H](C)C3CCCC3)cc12
InChIInChI=1S/C16H24N4/c1-11(14-6-4-5-7-14)17-9-13-8-15-12(2)19-20(3)16(15)18-10-13/h8,10-11,14,17H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyGFVVXWNETJVBKU-NSHDSACASA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (CID 81386392) is (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is Cc1nn(C)c2ncc(CN[C@@H](C)C3CCCC3)cc12.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The InChIKey is GFVVXWNETJVBKU-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4/c1-11(14-6-4-5-7-14)17-9-13-8-15-12(2)19-20(3)16(15)18-10-13/h8,10-11,14,17H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is sourced from PubChem (CID 81386392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).