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

C18H19N7 — CID 71511866

IUPAC2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile
SMILESN#CCc1cc2c(-c3cccc(N4CCC[C@H](N)C4)n3)n[nH]c2cn1
InChIInChI=1S/C18H19N7/c19-7-6-13-9-14-16(10-21-13)23-24-18(14)15-4-1-5-17(22-15)25-8-2-3-12(20)11-25/h1,4-5,9-10,12H,2-3,6,8,11,20H2,(H,23,24)/t12-/m0/s1
InChIKeyAFHKNOMDNFSLSJ-LBPRGKRZSA-N
MW333.40 g/mol
LogP2.01
Rot. Bonds3

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

2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile (PubChem CID 71511866) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile
PubChem CID71511866
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile
SMILESN#CCc1cc2c(-c3cccc(N4CCC[C@H](N)C4)n3)n[nH]c2cn1
InChIInChI=1S/C18H19N7/c19-7-6-13-9-14-16(10-21-13)23-24-18(14)15-4-1-5-17(22-15)25-8-2-3-12(20)11-25/h1,4-5,9-10,12H,2-3,6,8,11,20H2,(H,23,24)/t12-/m0/s1
InChIKeyAFHKNOMDNFSLSJ-LBPRGKRZSA-N
XLogP2.01
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile?
The IUPAC name of 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile (CID 71511866) is 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile?
The canonical SMILES for 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile is N#CCc1cc2c(-c3cccc(N4CCC[C@H](N)C4)n3)n[nH]c2cn1.
What is the InChIKey of 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile?
The InChIKey is AFHKNOMDNFSLSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N7/c19-7-6-13-9-14-16(10-21-13)23-24-18(14)15-4-1-5-17(22-15)25-8-2-3-12(20)11-25/h1,4-5,9-10,12H,2-3,6,8,11,20H2,(H,23,24)/t12-/m0/s1.
What are the key properties of 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile?
2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile is sourced from PubChem (CID 71511866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).