N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C32H31F4N7O3 — CID 46212565

IUPACN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCN(CC1(c2ccccc2)CC1)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)o1
InChIInChI=1S/C32H31F4N7O3/c1-41(20-31(13-14-31)21-7-3-2-4-8-21)30-40-27(32(34,35)36)26(46-30)28(44)38-22-11-12-25(37-19-22)42-15-17-43(18-16-42)29(45)39-24-10-6-5-9-23(24)33/h2-12,19H,13-18,20H2,1H3,(H,38,44)(H,39,45)
InChIKeyZRYRDLWSBRGGSP-UHFFFAOYSA-N
MW637.64 g/mol
LogP6.00
Rot. Bonds8

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212565) has the molecular formula C32H31F4N7O3 and a molecular weight of 637.64 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46212565
Molecular FormulaC32H31F4N7O3
Molecular Weight637.64 g/mol
Exact Mass637.24
IUPAC NameN-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCN(CC1(c2ccccc2)CC1)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)o1
InChIInChI=1S/C32H31F4N7O3/c1-41(20-31(13-14-31)21-7-3-2-4-8-21)30-40-27(32(34,35)36)26(46-30)28(44)38-22-11-12-25(37-19-22)42-15-17-43(18-16-42)29(45)39-24-10-6-5-9-23(24)33/h2-12,19H,13-18,20H2,1H3,(H,38,44)(H,39,45)
InChIKeyZRYRDLWSBRGGSP-UHFFFAOYSA-N
XLogP6.00
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212709
2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212518
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(N-methylanilino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 58428539
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide
CID 149376339
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[4-(2-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67296428
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67293734
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211945
2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46209010
N-[6-[(3S)-4-[(2-fluorophenyl)carbamoyl]-3-methylpiperazin-1-yl]-3-pyridinyl]-2-(4-phenylcyclohexyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293863
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide
CID 91398370

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212565) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CN(CC1(c2ccccc2)CC1)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2)o1.
What is the InChIKey of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ZRYRDLWSBRGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N7O3/c1-41(20-31(13-14-31)21-7-3-2-4-8-21)30-40-27(32(34,35)36)26(46-30)28(44)38-22-11-12-25(37-19-22)42-15-17-43(18-16-42)29(45)39-24-10-6-5-9-23(24)33/h2-12,19H,13-18,20H2,1H3,(H,38,44)(H,39,45).
What are the key properties of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 637.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[methyl-[(1-phenylcyclopropyl)methyl]amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).