N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide

C26H25F2N7O4S — CID 90446290

IUPACN-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CCCCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C26H25F2N7O4S/c27-18-6-2-1-5-16(18)15-35-23(20-10-12-39-32-20)13-21(31-35)24-29-14-19(28)25(30-24)34-11-4-3-7-22(34)26(36)33-40(37,38)17-8-9-17/h1-2,5-6,10,12-14,17,22H,3-4,7-9,11,15H2,(H,33,36)
InChIKeyWUCYRLNNXKIZPB-UHFFFAOYSA-N
MW569.59 g/mol
LogP3.29
Rot. Bonds8

About N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide

N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide (PubChem CID 90446290) has the molecular formula C26H25F2N7O4S and a molecular weight of 569.59 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide
PubChem CID90446290
Molecular FormulaC26H25F2N7O4S
Molecular Weight569.59 g/mol
Exact Mass569.17
IUPAC NameN-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CCCCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C26H25F2N7O4S/c27-18-6-2-1-5-16(18)15-35-23(20-10-12-39-32-20)13-21(31-35)24-29-14-19(28)25(30-24)34-11-4-3-7-22(34)26(36)33-40(37,38)17-8-9-17/h1-2,5-6,10,12-14,17,22H,3-4,7-9,11,15H2,(H,33,36)
InChIKeyWUCYRLNNXKIZPB-UHFFFAOYSA-N
XLogP3.29
TPSA136.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-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-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide (CID 90446290) is N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide is O=C(NS(=O)(=O)C1CC1)C1CCCCN1c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide?
The InChIKey is WUCYRLNNXKIZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O4S/c27-18-6-2-1-5-16(18)15-35-23(20-10-12-39-32-20)13-21(31-35)24-29-14-19(28)25(30-24)34-11-4-3-7-22(34)26(36)33-40(37,38)17-8-9-17/h1-2,5-6,10,12-14,17,22H,3-4,7-9,11,15H2,(H,33,36).
What are the key properties of N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide?
N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 90446290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).