N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

C32H35FN8O4 — CID 135230532

IUPACN-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C32H35FN8O4/c1-19-15-22(17-35-27(19)31(42)36-23-9-10-23)28-20(2)30(41(39-28)24-7-5-4-6-8-24)38-32(43)37-25-18-40(13-14-44-3)45-29(25)21-11-12-34-26(33)16-21/h4-8,11-12,15-17,23,25,29H,9-10,13-14,18H2,1-3H3,(H,36,42)(H2,37,38,43)/t25-,29+/m1/s1
InChIKeyVNHRLDOMGDEUNO-IRPSRAIASA-N
MW614.68 g/mol
LogP4.10
Rot. Bonds10

About N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (PubChem CID 135230532) has the molecular formula C32H35FN8O4 and a molecular weight of 614.68 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
PubChem CID135230532
Molecular FormulaC32H35FN8O4
Molecular Weight614.68 g/mol
Exact Mass614.28
IUPAC NameN-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C32H35FN8O4/c1-19-15-22(17-35-27(19)31(42)36-23-9-10-23)28-20(2)30(41(39-28)24-7-5-4-6-8-24)38-32(43)37-25-18-40(13-14-44-3)45-29(25)21-11-12-34-26(33)16-21/h4-8,11-12,15-17,23,25,29H,9-10,13-14,18H2,1-3H3,(H,36,42)(H2,37,38,43)/t25-,29+/m1/s1
InChIKeyVNHRLDOMGDEUNO-IRPSRAIASA-N
XLogP4.10
TPSA135.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.68
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (CID 135230532) is N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is VNHRLDOMGDEUNO-IRPSRAIASA-N. The full InChI is InChI=1S/C32H35FN8O4/c1-19-15-22(17-35-27(19)31(42)36-23-9-10-23)28-20(2)30(41(39-28)24-7-5-4-6-8-24)38-32(43)37-25-18-40(13-14-44-3)45-29(25)21-11-12-34-26(33)16-21/h4-8,11-12,15-17,23,25,29H,9-10,13-14,18H2,1-3H3,(H,36,42)(H2,37,38,43)/t25-,29+/m1/s1.
What are the key properties of N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 614.68 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 135230532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).