N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C28H23FN6O3 — CID 71283016

IUPACN-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H]4Cc5ccccc5[C@@H]4O)ccc3F)cnc2c1
InChIInChI=1S/C28H23FN6O3/c1-34-23(8-10-31-34)17-9-11-35-24(15-30-25(35)14-17)28(38)32-21-13-18(6-7-20(21)29)27(37)33-22-12-16-4-2-3-5-19(16)26(22)36/h2-11,13-15,22,26,36H,12H2,1H3,(H,32,38)(H,33,37)/t22-,26+/m1/s1
InChIKeyFDDKUNQVXPOHSU-GJZUVCINSA-N
MW510.53 g/mol
LogP3.51
Rot. Bonds5

About N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283016) has the molecular formula C28H23FN6O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283016
Molecular FormulaC28H23FN6O3
Molecular Weight510.53 g/mol
Exact Mass510.18
IUPAC NameN-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H]4Cc5ccccc5[C@@H]4O)ccc3F)cnc2c1
InChIInChI=1S/C28H23FN6O3/c1-34-23(8-10-31-34)17-9-11-35-24(15-30-25(35)14-17)28(38)32-21-13-18(6-7-20(21)29)27(37)33-22-12-16-4-2-3-5-19(16)26(22)36/h2-11,13-15,22,26,36H,12H2,1H3,(H,32,38)(H,33,37)/t22-,26+/m1/s1
InChIKeyFDDKUNQVXPOHSU-GJZUVCINSA-N
XLogP3.51
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71283016) is N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-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-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H]4Cc5ccccc5[C@@H]4O)ccc3F)cnc2c1.
What is the InChIKey of N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FDDKUNQVXPOHSU-GJZUVCINSA-N. The full InChI is InChI=1S/C28H23FN6O3/c1-34-23(8-10-31-34)17-9-11-35-24(15-30-25(35)14-17)28(38)32-21-13-18(6-7-20(21)29)27(37)33-22-12-16-4-2-3-5-19(16)26(22)36/h2-11,13-15,22,26,36H,12H2,1H3,(H,32,38)(H,33,37)/t22-,26+/m1/s1.
What are the key properties of N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).