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

C16H24N4 — CID 60975729

IUPAC2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCc1nn(C)c2ncc(CNCCC3CCCC3)cc12
InChIInChI=1S/C16H24N4/c1-12-15-9-14(11-18-16(15)20(2)19-12)10-17-8-7-13-5-3-4-6-13/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyKIASOBBRNMLYPC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.95
Rot. Bonds5

About 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine

2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (PubChem CID 60975729) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
PubChem CID60975729
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
SMILESCc1nn(C)c2ncc(CNCCC3CCCC3)cc12
InChIInChI=1S/C16H24N4/c1-12-15-9-14(11-18-16(15)20(2)19-12)10-17-8-7-13-5-3-4-6-13/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyKIASOBBRNMLYPC-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009426
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991547

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine (CID 60975729) is 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is Cc1nn(C)c2ncc(CNCCC3CCCC3)cc12.
What is the InChIKey of 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
The InChIKey is KIASOBBRNMLYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-15-9-14(11-18-16(15)20(2)19-12)10-17-8-7-13-5-3-4-6-13/h9,11,13,17H,3-8,10H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine?
2-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, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine is sourced from PubChem (CID 60975729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).