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

C23H24ClN7 — CID 86707037

IUPAC(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C23H24ClN7/c1-2-15-8-16(11-26-10-15)20-9-21-17(12-27-20)13-28-31(21)22-6-5-19(24)23(29-22)30-7-3-4-18(25)14-30/h5-6,8-13,18H,2-4,7,14,25H2,1H3/t18-/m0/s1
InChIKeyQKQSCRNMPDQOQG-SFHVURJKSA-N
MW433.95 g/mol
LogP4.02
Rot. Bonds4

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

(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 86707037) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
PubChem CID86707037
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
SMILESCCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C23H24ClN7/c1-2-15-8-16(11-26-10-15)20-9-21-17(12-27-20)13-28-31(21)22-6-5-19(24)23(29-22)30-7-3-4-18(25)14-30/h5-6,8-13,18H,2-4,7,14,25H2,1H3/t18-/m0/s1
InChIKeyQKQSCRNMPDQOQG-SFHVURJKSA-N
XLogP4.02
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (CID 86707037) is (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is CCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(Cl)c(N3CCC[C@H](N)C3)n2)c1.
What is the InChIKey of (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
The InChIKey is QKQSCRNMPDQOQG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-2-15-8-16(11-26-10-15)20-9-21-17(12-27-20)13-28-31(21)22-6-5-19(24)23(29-22)30-7-3-4-18(25)14-30/h5-6,8-13,18H,2-4,7,14,25H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?
(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 433.95 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridinyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 86707037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).