N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H21FN4O3 — CID 71282808

IUPACN-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3cc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)ccc3F)n2c1
InChIInChI=1S/C25H21FN4O3/c1-14-6-9-22-27-12-20(30(22)13-14)25(33)28-19-10-16(7-8-18(19)26)24(32)29-23-17-5-3-2-4-15(17)11-21(23)31/h2-10,12-13,21,23,31H,11H2,1H3,(H,28,33)(H,29,32)/t21-,23+/m0/s1
InChIKeyCRHOWRANGLAZQD-JTHBVZDNSA-N
MW444.47 g/mol
LogP3.42
Rot. Bonds4

About N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282808) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71282808
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3cc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)ccc3F)n2c1
InChIInChI=1S/C25H21FN4O3/c1-14-6-9-22-27-12-20(30(22)13-14)25(33)28-19-10-16(7-8-18(19)26)24(32)29-23-17-5-3-2-4-15(17)11-21(23)31/h2-10,12-13,21,23,31H,11H2,1H3,(H,28,33)(H,29,32)/t21-,23+/m0/s1
InChIKeyCRHOWRANGLAZQD-JTHBVZDNSA-N
XLogP3.42
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 71282808) is N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2ncc(C(=O)Nc3cc(C(=O)N[C@@H]4c5ccccc5C[C@@H]4O)ccc3F)n2c1.
What is the InChIKey of N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CRHOWRANGLAZQD-JTHBVZDNSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-14-6-9-22-27-12-20(30(22)13-14)25(33)28-19-10-16(7-8-18(19)26)24(32)29-23-17-5-3-2-4-15(17)11-21(23)31/h2-10,12-13,21,23,31H,11H2,1H3,(H,28,33)(H,29,32)/t21-,23+/m0/s1.
What are the key properties of N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).