N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C25H21F4N5O2 — CID 169077783

IUPACN-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H21F4N5O2/c1-15-8-20(26)21(32-24(35)16-9-18(13-30-12-16)25(27,28)29)11-19(15)17-10-22(33-4-6-36-7-5-33)23-31-2-3-34(23)14-17/h2-3,8-14H,4-7H2,1H3,(H,32,35)
InChIKeySGMPYACXDKDGCB-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.95
Rot. Bonds4

About N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 169077783) has the molecular formula C25H21F4N5O2 and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID169077783
Molecular FormulaC25H21F4N5O2
Molecular Weight499.47 g/mol
Exact Mass499.16
IUPAC NameN-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C25H21F4N5O2/c1-15-8-20(26)21(32-24(35)16-9-18(13-30-12-16)25(27,28)29)11-19(15)17-10-22(33-4-6-36-7-5-33)23-31-2-3-34(23)14-17/h2-3,8-14H,4-7H2,1H3,(H,32,35)
InChIKeySGMPYACXDKDGCB-UHFFFAOYSA-N
XLogP4.95
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 169077783) is N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(F)c(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SGMPYACXDKDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N5O2/c1-15-8-20(26)21(32-24(35)16-9-18(13-30-12-16)25(27,28)29)11-19(15)17-10-22(33-4-6-36-7-5-33)23-31-2-3-34(23)14-17/h2-3,8-14H,4-7H2,1H3,(H,32,35).
What are the key properties of N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 169077783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).