(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide

C24H36F2N8O — CID 166704462

IUPAC(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCc1cc(CN2CCC(NC(=O)N3[C@H](C)CN(c4ncc(C(C)(F)F)cn4)C[C@@H]3C)CC2)n(C)n1
InChIInChI=1S/C24H36F2N8O/c1-16-10-21(31(5)30-16)15-32-8-6-20(7-9-32)29-23(35)34-17(2)13-33(14-18(34)3)22-27-11-19(12-28-22)24(4,25)26/h10-12,17-18,20H,6-9,13-15H2,1-5H3,(H,29,35)/t17-,18+
InChIKeyRLBHDHCXTRTRMW-HDICACEKSA-N
MW490.60 g/mol
LogP2.90
Rot. Bonds5

About (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide

(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide (PubChem CID 166704462) has the molecular formula C24H36F2N8O and a molecular weight of 490.60 g/mol. Its IUPAC name is (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide
PubChem CID166704462
Molecular FormulaC24H36F2N8O
Molecular Weight490.60 g/mol
Exact Mass490.30
IUPAC Name(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide
SMILESCc1cc(CN2CCC(NC(=O)N3[C@H](C)CN(c4ncc(C(C)(F)F)cn4)C[C@@H]3C)CC2)n(C)n1
InChIInChI=1S/C24H36F2N8O/c1-16-10-21(31(5)30-16)15-32-8-6-20(7-9-32)29-23(35)34-17(2)13-33(14-18(34)3)22-27-11-19(12-28-22)24(4,25)26/h10-12,17-18,20H,6-9,13-15H2,1-5H3,(H,29,35)/t17-,18+
InChIKeyRLBHDHCXTRTRMW-HDICACEKSA-N
XLogP2.90
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-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 (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide (CID 166704462) is (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide is Cc1cc(CN2CCC(NC(=O)N3[C@H](C)CN(c4ncc(C(C)(F)F)cn4)C[C@@H]3C)CC2)n(C)n1.
What is the InChIKey of (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide?
The InChIKey is RLBHDHCXTRTRMW-HDICACEKSA-N. The full InChI is InChI=1S/C24H36F2N8O/c1-16-10-21(31(5)30-16)15-32-8-6-20(7-9-32)29-23(35)34-17(2)13-33(14-18(34)3)22-27-11-19(12-28-22)24(4,25)26/h10-12,17-18,20H,6-9,13-15H2,1-5H3,(H,29,35)/t17-,18+.
What are the key properties of (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide?
(2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]-N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-2,6-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 166704462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).