(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine

C21H21N7 — CID 71253342

IUPAC(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
InChIInChI=1S/C21H21N7/c22-15-5-3-9-28(13-15)20-7-1-6-17(25-20)21-16-10-18(14-4-2-8-23-11-14)24-12-19(16)26-27-21/h1-2,4,6-8,10-12,15H,3,5,9,13,22H2,(H,26,27)/t15-/m0/s1
InChIKeyIKFWWTFURAIGPU-HNNXBMFYSA-N
MW371.45 g/mol
LogP3.01
Rot. Bonds3

About (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine

(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 71253342) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
PubChem CID71253342
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
InChIInChI=1S/C21H21N7/c22-15-5-3-9-28(13-15)20-7-1-6-17(25-20)21-16-10-18(14-4-2-8-23-11-14)24-12-19(16)26-27-21/h1-2,4,6-8,10-12,15H,3,5,9,13,22H2,(H,26,27)/t15-/m0/s1
InChIKeyIKFWWTFURAIGPU-HNNXBMFYSA-N
XLogP3.01
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (CID 71253342) is (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1.
What is the InChIKey of (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is IKFWWTFURAIGPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N7/c22-15-5-3-9-28(13-15)20-7-1-6-17(25-20)21-16-10-18(14-4-2-8-23-11-14)24-12-19(16)26-27-21/h1-2,4,6-8,10-12,15H,3,5,9,13,22H2,(H,26,27)/t15-/m0/s1.
What are the key properties of (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine?
(3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 371.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).