5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C22H22F2N4O3 — CID 86686395

IUPAC5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCOc1ncc(C)c(-c2cc(F)c(-c3c(C(N)=O)cnn3[C@H]3CCOC3)cc2F)c1C
InChIInChI=1S/C22H22F2N4O3/c1-11-8-26-22(30-3)12(2)19(11)14-6-18(24)15(7-17(14)23)20-16(21(25)29)9-27-28(20)13-4-5-31-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,25,29)/t13-/m0/s1
InChIKeyHFGSOKVARXIELK-ZDUSSCGKSA-N
MW428.44 g/mol
LogP3.58
Rot. Bonds5

About 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 86686395) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID86686395
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCOc1ncc(C)c(-c2cc(F)c(-c3c(C(N)=O)cnn3[C@H]3CCOC3)cc2F)c1C
InChIInChI=1S/C22H22F2N4O3/c1-11-8-26-22(30-3)12(2)19(11)14-6-18(24)15(7-17(14)23)20-16(21(25)29)9-27-28(20)13-4-5-31-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,25,29)/t13-/m0/s1
InChIKeyHFGSOKVARXIELK-ZDUSSCGKSA-N
XLogP3.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-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 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 86686395) is 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is COc1ncc(C)c(-c2cc(F)c(-c3c(C(N)=O)cnn3[C@H]3CCOC3)cc2F)c1C.
What is the InChIKey of 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is HFGSOKVARXIELK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-11-8-26-22(30-3)12(2)19(11)14-6-18(24)15(7-17(14)23)20-16(21(25)29)9-27-28(20)13-4-5-31-10-13/h6-9,13H,4-5,10H2,1-3H3,(H2,25,29)/t13-/m0/s1.
What are the key properties of 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 86686395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).