N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C45H48F6N12O5 — CID 87953043

IUPACN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCN(C)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(CCO)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H25F3N6O3.C22H23F3N6O2/c1-15-19-12-17(29-20(34)14-35-18-4-2-16(3-5-18)23(24,25)26)13-27-21(19)30-22(28-15)32-8-6-31(7-9-32)10-11-33;1-14-18-11-16(12-26-20(18)29-21(27-14)31-9-7-30(2)8-10-31)28-19(32)13-33-17-5-3-15(4-6-17)22(23,24)25/h2-5,12-13,33H,6-11,14H2,1H3,(H,29,34);3-6,11-12H,7-10,13H2,1-2H3,(H,28,32)
InChIKeyHOCLMVKZQCKCDA-UHFFFAOYSA-N
MW950.95 g/mol
LogP5.61
Rot. Bonds12

About N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 87953043) has the molecular formula C45H48F6N12O5 and a molecular weight of 950.95 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID87953043
Molecular FormulaC45H48F6N12O5
Molecular Weight950.95 g/mol
Exact Mass950.38
IUPAC NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCN(C)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(CCO)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H25F3N6O3.C22H23F3N6O2/c1-15-19-12-17(29-20(34)14-35-18-4-2-16(3-5-18)23(24,25)26)13-27-21(19)30-22(28-15)32-8-6-31(7-9-32)10-11-33;1-14-18-11-16(12-26-20(18)29-21(27-14)31-9-7-30(2)8-10-31)28-19(32)13-33-17-5-3-15(4-6-17)22(23,24)25/h2-5,12-13,33H,6-11,14H2,1H3,(H,29,34);3-6,11-12H,7-10,13H2,1-2H3,(H,28,32)
InChIKeyHOCLMVKZQCKCDA-UHFFFAOYSA-N
XLogP5.61
TPSA187.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500950.95
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide 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-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 87953043) is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1nc(N2CCN(C)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(CCO)CC2)nc2ncc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is HOCLMVKZQCKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3.C22H23F3N6O2/c1-15-19-12-17(29-20(34)14-35-18-4-2-16(3-5-18)23(24,25)26)13-27-21(19)30-22(28-15)32-8-6-31(7-9-32)10-11-33;1-14-18-11-16(12-26-20(18)29-21(27-14)31-9-7-30(2)8-10-31)28-19(32)13-33-17-5-3-15(4-6-17)22(23,24)25/h2-5,12-13,33H,6-11,14H2,1H3,(H,29,34);3-6,11-12H,7-10,13H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 950.95 g/mol, XLogP of 5.61, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 87953043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).