6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C30H29F2N9O4 — CID 135230697

IUPAC6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc4nc(C(N)=O)cn4c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C30H29F2N9O4/c1-17-25(18-8-9-24-35-23(28(33)42)15-39(24)14-18)38-41(20-6-4-3-5-7-20)29(17)37-30(43)36-22-16-40(10-11-44-2)45-26(22)19-12-21(31)27(32)34-13-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3,(H2,33,42)(H2,36,37,43)/t22-,26+/m1/s1
InChIKeyVDVDVKPVDUWBFK-GJZUVCINSA-N
MW617.62 g/mol
LogP3.39
Rot. Bonds9

About 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 135230697) has the molecular formula C30H29F2N9O4 and a molecular weight of 617.62 g/mol. Its IUPAC name is 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID135230697
Molecular FormulaC30H29F2N9O4
Molecular Weight617.62 g/mol
Exact Mass617.23
IUPAC Name6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc4nc(C(N)=O)cn4c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C30H29F2N9O4/c1-17-25(18-8-9-24-35-23(28(33)42)15-39(24)14-18)38-41(20-6-4-3-5-7-20)29(17)37-30(43)36-22-16-40(10-11-44-2)45-26(22)19-12-21(31)27(32)34-13-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3,(H2,33,42)(H2,36,37,43)/t22-,26+/m1/s1
InChIKeyVDVDVKPVDUWBFK-GJZUVCINSA-N
XLogP3.39
TPSA153.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.62
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 135230697) is 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc4nc(C(N)=O)cn4c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.
What is the InChIKey of 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VDVDVKPVDUWBFK-GJZUVCINSA-N. The full InChI is InChI=1S/C30H29F2N9O4/c1-17-25(18-8-9-24-35-23(28(33)42)15-39(24)14-18)38-41(20-6-4-3-5-7-20)29(17)37-30(43)36-22-16-40(10-11-44-2)45-26(22)19-12-21(31)27(32)34-13-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3,(H2,33,42)(H2,36,37,43)/t22-,26+/m1/s1.
What are the key properties of 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 617.62 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 135230697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).