(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C17H16ClFN6O — CID 139344825

IUPAC(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C17H16ClFN6O/c18-11-9-25-13(7-22-15(25)6-12(11)19)17-21-4-3-14(23-17)24-5-1-2-10(8-24)16(20)26/h3-4,6-7,9-10H,1-2,5,8H2,(H2,20,26)/t10-/m0/s1
InChIKeyZSHYXLMQNOQQAC-JTQLQIEISA-N
MW374.81 g/mol
LogP2.29
Rot. Bonds3

About (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide

(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139344825) has the molecular formula C17H16ClFN6O and a molecular weight of 374.81 g/mol. Its IUPAC name is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID139344825
Molecular FormulaC17H16ClFN6O
Molecular Weight374.81 g/mol
Exact Mass374.11
IUPAC Name(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C17H16ClFN6O/c18-11-9-25-13(7-22-15(25)6-12(11)19)17-21-4-3-14(23-17)24-5-1-2-10(8-24)16(20)26/h3-4,6-7,9-10H,1-2,5,8H2,(H2,20,26)/t10-/m0/s1
InChIKeyZSHYXLMQNOQQAC-JTQLQIEISA-N
XLogP2.29
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 139344825) is (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.
What is the InChIKey of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is ZSHYXLMQNOQQAC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClFN6O/c18-11-9-25-13(7-22-15(25)6-12(11)19)17-21-4-3-14(23-17)24-5-1-2-10(8-24)16(20)26/h3-4,6-7,9-10H,1-2,5,8H2,(H2,20,26)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 374.81 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139344825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).