5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C33H31F2N7O5 — CID 145228520

IUPAC5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccco4)OC3c3ccc(F)c(F)c3)c2C)cn(C)c1=O
InChIInChI=1S/C33H31F2N7O5/c1-19-28(21-14-24(31(43)36-2)32(44)40(3)16-21)39-42(22-8-5-4-6-9-22)30(19)38-33(45)37-27-18-41(17-23-10-7-13-46-23)47-29(27)20-11-12-25(34)26(35)15-20/h4-16,27,29H,17-18H2,1-3H3,(H,36,43)(H2,37,38,45)/t27-,29?/m1/s1
InChIKeyLKKTXZTVDLWURA-SCBLGKRXSA-N
MW643.65 g/mol
LogP4.46
Rot. Bonds8

About 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 145228520) has the molecular formula C33H31F2N7O5 and a molecular weight of 643.65 g/mol. Its IUPAC name is 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID145228520
Molecular FormulaC33H31F2N7O5
Molecular Weight643.65 g/mol
Exact Mass643.24
IUPAC Name5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccco4)OC3c3ccc(F)c(F)c3)c2C)cn(C)c1=O
InChIInChI=1S/C33H31F2N7O5/c1-19-28(21-14-24(31(43)36-2)32(44)40(3)16-21)39-42(22-8-5-4-6-9-22)30(19)38-33(45)37-27-18-41(17-23-10-7-13-46-23)47-29(27)20-11-12-25(34)26(35)15-20/h4-16,27,29H,17-18H2,1-3H3,(H,36,43)(H2,37,38,45)/t27-,29?/m1/s1
InChIKeyLKKTXZTVDLWURA-SCBLGKRXSA-N
XLogP4.46
TPSA135.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.65
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
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US10640495, Example I-277
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US10640495, Example I-644
CID 135226472
US10640495, Example I-150
CID 135230520
US10640495, Example I-149
CID 135230663
5-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1319133
5-[(3-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 1068291
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
3-(4-fluorophenyl)-N-(1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-5-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
CID 6624022
N-benzyl-5-(furan-2-yl)-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944165
5-(4-(furan-2-carbonyl)piperazine-1-carbonyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4(7H)-one
CID 135906715

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 145228520) is 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccco4)OC3c3ccc(F)c(F)c3)c2C)cn(C)c1=O.
What is the InChIKey of 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is LKKTXZTVDLWURA-SCBLGKRXSA-N. The full InChI is InChI=1S/C33H31F2N7O5/c1-19-28(21-14-24(31(43)36-2)32(44)40(3)16-21)39-42(22-8-5-4-6-9-22)30(19)38-33(45)37-27-18-41(17-23-10-7-13-46-23)47-29(27)20-11-12-25(34)26(35)15-20/h4-16,27,29H,17-18H2,1-3H3,(H,36,43)(H2,37,38,45)/t27-,29?/m1/s1.
What are the key properties of 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 643.65 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R)-5-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 145228520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).