6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C27H25ClFN5O — CID 155371066

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC12CCCN1CCC2)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C27H25ClFN5O/c28-21-14-18(5-7-22(21)29)25-20(4-1-11-30-25)19-6-8-24-31-15-23(34(24)16-19)26(35)32-17-27-9-2-12-33(27)13-3-10-27/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2,(H,32,35)
InChIKeySWJAKLNTAHAOAL-UHFFFAOYSA-N
MW489.98 g/mol
LogP5.21
Rot. Bonds5

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155371066) has the molecular formula C27H25ClFN5O and a molecular weight of 489.98 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155371066
Molecular FormulaC27H25ClFN5O
Molecular Weight489.98 g/mol
Exact Mass489.17
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC12CCCN1CCC2)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C27H25ClFN5O/c28-21-14-18(5-7-22(21)29)25-20(4-1-11-30-25)19-6-8-24-31-15-23(34(24)16-19)26(35)32-17-27-9-2-12-33(27)13-3-10-27/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2,(H,32,35)
InChIKeySWJAKLNTAHAOAL-UHFFFAOYSA-N
XLogP5.21
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 155371066) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC12CCCN1CCC2)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SWJAKLNTAHAOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O/c28-21-14-18(5-7-22(21)29)25-20(4-1-11-30-25)19-6-8-24-31-15-23(34(24)16-19)26(35)32-17-27-9-2-12-33(27)13-3-10-27/h1,4-8,11,14-16H,2-3,9-10,12-13,17H2,(H,32,35).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.98 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155371066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).