6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H29FN6O — CID 90094779

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F
InChIInChI=1S/C27H29FN6O/c1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16-18H,10-15H2,1-2H3,(H,30,35)
InChIKeyTZGZQAZRALPSHB-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.49
Rot. Bonds6

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90094779) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90094779
Molecular FormulaC27H29FN6O
Molecular Weight472.57 g/mol
Exact Mass472.24
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F
InChIInChI=1S/C27H29FN6O/c1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16-18H,10-15H2,1-2H3,(H,30,35)
InChIKeyTZGZQAZRALPSHB-UHFFFAOYSA-N
XLogP3.49
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90094779) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN4CCN(C)CC4)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TZGZQAZRALPSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O/c1-19-16-20(5-7-23(19)28)26-22(4-3-9-29-26)21-6-8-25-31-17-24(34(25)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16-18H,10-15H2,1-2H3,(H,30,35).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).