N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C28H32F2N8O3 — CID 134454036

IUPACN-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1CN(C2CCC(n3cc(NC(=O)c4coc(-c5cn[nH]c5)n4)c(-c4cccc(C(F)F)n4)n3)CC2)C[C@H](C)O1
InChIInChI=1S/C28H32F2N8O3/c1-16-12-37(13-17(2)41-16)19-6-8-20(9-7-19)38-14-23(25(36-38)21-4-3-5-22(33-21)26(29)30)34-27(39)24-15-40-28(35-24)18-10-31-32-11-18/h3-5,10-11,14-17,19-20,26H,6-9,12-13H2,1-2H3,(H,31,32)(H,34,39)/t16-,17+,19?,20?
InChIKeyNDUVCTBJWSYXCY-FWYSVENZSA-N
MW566.61 g/mol
LogP5.11
Rot. Bonds7

About N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 134454036) has the molecular formula C28H32F2N8O3 and a molecular weight of 566.61 g/mol. Its IUPAC name is N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID134454036
Molecular FormulaC28H32F2N8O3
Molecular Weight566.61 g/mol
Exact Mass566.26
IUPAC NameN-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1CN(C2CCC(n3cc(NC(=O)c4coc(-c5cn[nH]c5)n4)c(-c4cccc(C(F)F)n4)n3)CC2)C[C@H](C)O1
InChIInChI=1S/C28H32F2N8O3/c1-16-12-37(13-17(2)41-16)19-6-8-20(9-7-19)38-14-23(25(36-38)21-4-3-5-22(33-21)26(29)30)34-27(39)24-15-40-28(35-24)18-10-31-32-11-18/h3-5,10-11,14-17,19-20,26H,6-9,12-13H2,1-2H3,(H,31,32)(H,34,39)/t16-,17+,19?,20?
InChIKeyNDUVCTBJWSYXCY-FWYSVENZSA-N
XLogP5.11
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 134454036) is N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is C[C@@H]1CN(C2CCC(n3cc(NC(=O)c4coc(-c5cn[nH]c5)n4)c(-c4cccc(C(F)F)n4)n3)CC2)C[C@H](C)O1.
What is the InChIKey of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is NDUVCTBJWSYXCY-FWYSVENZSA-N. The full InChI is InChI=1S/C28H32F2N8O3/c1-16-12-37(13-17(2)41-16)19-6-8-20(9-7-19)38-14-23(25(36-38)21-4-3-5-22(33-21)26(29)30)34-27(39)24-15-40-28(35-24)18-10-31-32-11-18/h3-5,10-11,14-17,19-20,26H,6-9,12-13H2,1-2H3,(H,31,32)(H,34,39)/t16-,17+,19?,20?.
What are the key properties of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 566.61 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134454036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).