5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide

C36H42FN11O4 — CID 135226377

IUPAC5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)NC3CCN(C)CC3)nn4C)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C36H42FN11O4/c1-22-30(24-18-27-31(43-46(3)34(27)39-20-24)35(49)40-25-11-14-45(2)15-12-25)44-48(26-8-6-5-7-9-26)33(22)42-36(50)41-28-21-47(16-17-51-4)52-32(28)23-10-13-38-29(37)19-23/h5-10,13,18-20,25,28,32H,11-12,14-17,21H2,1-4H3,(H,40,49)(H2,41,42,50)/t28-,32+/m1/s1
InChIKeyDGNOSUYVJWWURT-NSJVFKKDSA-N
MW711.80 g/mol
LogP3.61
Rot. Bonds10

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

5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 135226377) has the molecular formula C36H42FN11O4 and a molecular weight of 711.80 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID135226377
Molecular FormulaC36H42FN11O4
Molecular Weight711.80 g/mol
Exact Mass711.34
IUPAC Name5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)NC3CCN(C)CC3)nn4C)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C36H42FN11O4/c1-22-30(24-18-27-31(43-46(3)34(27)39-20-24)35(49)40-25-11-14-45(2)15-12-25)44-48(26-8-6-5-7-9-26)33(22)42-36(50)41-28-21-47(16-17-51-4)52-32(28)23-10-13-38-29(37)19-23/h5-10,13,18-20,25,28,32H,11-12,14-17,21H2,1-4H3,(H,40,49)(H2,41,42,50)/t28-,32+/m1/s1
InChIKeyDGNOSUYVJWWURT-NSJVFKKDSA-N
XLogP3.61
TPSA156.59 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.80
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 135226377) is 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)c(C(=O)NC3CCN(C)CC3)nn4C)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is DGNOSUYVJWWURT-NSJVFKKDSA-N. The full InChI is InChI=1S/C36H42FN11O4/c1-22-30(24-18-27-31(43-46(3)34(27)39-20-24)35(49)40-25-11-14-45(2)15-12-25)44-48(26-8-6-5-7-9-26)33(22)42-36(50)41-28-21-47(16-17-51-4)52-32(28)23-10-13-38-29(37)19-23/h5-10,13,18-20,25,28,32H,11-12,14-17,21H2,1-4H3,(H,40,49)(H2,41,42,50)/t28-,32+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 711.80 g/mol, XLogP of 3.61, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-N-(1-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 135226377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).