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

C24H27N7 — CID 86707024

IUPAC(3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C24H27N7/c1-16(2)17-9-18(12-26-11-17)21-10-22-19(13-27-21)14-28-31(22)24-7-3-6-23(29-24)30-8-4-5-20(25)15-30/h3,6-7,9-14,16,20H,4-5,8,15,25H2,1-2H3/t20-/m0/s1
InChIKeyHRAGREQODMBNFS-FQEVSTJZSA-N
MW413.53 g/mol
LogP3.93
Rot. Bonds4

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

(3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 86707024) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID86707024
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name(3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C24H27N7/c1-16(2)17-9-18(12-26-11-17)21-10-22-19(13-27-21)14-28-31(22)24-7-3-6-23(29-24)30-8-4-5-20(25)15-30/h3,6-7,9-14,16,20H,4-5,8,15,25H2,1-2H3/t20-/m0/s1
InChIKeyHRAGREQODMBNFS-FQEVSTJZSA-N
XLogP3.93
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (CID 86707024) is (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCC[C@H](N)C3)n2)c1.
What is the InChIKey of (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The InChIKey is HRAGREQODMBNFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N7/c1-16(2)17-9-18(12-26-11-17)21-10-22-19(13-27-21)14-28-31(22)24-7-3-6-23(29-24)30-8-4-5-20(25)15-30/h3,6-7,9-14,16,20H,4-5,8,15,25H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
(3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 413.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-[6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 86707024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).