(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine

C15H19N7 — CID 71253387

IUPAC(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)C1
InChIInChI=1S/C15H19N7/c16-11-2-1-3-22(8-11)9-15-12-4-13(10-5-18-19-6-10)17-7-14(12)20-21-15/h4-7,11H,1-3,8-9,16H2,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyPEQKUPNEEOUDLG-NSHDSACASA-N
MW297.37 g/mol
LogP1.27
Rot. Bonds3

About (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine

(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine (PubChem CID 71253387) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine
PubChem CID71253387
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)C1
InChIInChI=1S/C15H19N7/c16-11-2-1-3-22(8-11)9-15-12-4-13(10-5-18-19-6-10)17-7-14(12)20-21-15/h4-7,11H,1-3,8-9,16H2,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyPEQKUPNEEOUDLG-NSHDSACASA-N
XLogP1.27
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine (CID 71253387) is (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine is N[C@H]1CCCN(Cc2[nH]nc3cnc(-c4cn[nH]c4)cc23)C1.
What is the InChIKey of (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine?
The InChIKey is PEQKUPNEEOUDLG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7/c16-11-2-1-3-22(8-11)9-15-12-4-13(10-5-18-19-6-10)17-7-14(12)20-21-15/h4-7,11H,1-3,8-9,16H2,(H,18,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine?
(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine has a molecular weight of 297.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 71253387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).