N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C28H25FN6O3 — CID 123417225

IUPACN-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)Cc4ccccc4)ccc3F)cnc2c1
InChIInChI=1S/C28H25FN6O3/c1-34-24(9-11-31-34)19-10-12-35-25(16-30-26(35)15-19)28(38)33-23-14-20(7-8-22(23)29)27(37)32-21(17-36)13-18-5-3-2-4-6-18/h2-12,14-16,21,36H,13,17H2,1H3,(H,32,37)(H,33,38)
InChIKeyXWSYMGIFAKEWIR-UHFFFAOYSA-N
MW512.55 g/mol
LogP3.46
Rot. Bonds8

About N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123417225) has the molecular formula C28H25FN6O3 and a molecular weight of 512.55 g/mol. Its IUPAC name is N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123417225
Molecular FormulaC28H25FN6O3
Molecular Weight512.55 g/mol
Exact Mass512.20
IUPAC NameN-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)Cc4ccccc4)ccc3F)cnc2c1
InChIInChI=1S/C28H25FN6O3/c1-34-24(9-11-31-34)19-10-12-35-25(16-30-26(35)15-19)28(38)33-23-14-20(7-8-22(23)29)27(37)32-21(17-36)13-18-5-3-2-4-6-18/h2-12,14-16,21,36H,13,17H2,1H3,(H,32,37)(H,33,38)
InChIKeyXWSYMGIFAKEWIR-UHFFFAOYSA-N
XLogP3.46
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 123417225) is N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NC(CO)Cc4ccccc4)ccc3F)cnc2c1.
What is the InChIKey of N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XWSYMGIFAKEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O3/c1-34-24(9-11-31-34)19-10-12-35-25(16-30-26(35)15-19)28(38)33-23-14-20(7-8-22(23)29)27(37)32-21(17-36)13-18-5-3-2-4-6-18/h2-12,14-16,21,36H,13,17H2,1H3,(H,32,37)(H,33,38).
What are the key properties of N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 512.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123417225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).