N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide

C26H22Cl2F3N7O2 — CID 15950890

IUPACN-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C26H22Cl2F3N7O2/c1-25(2,3)38-24(40)37-21-15(10-13-11-33-23(32)36-20(13)35-21)18-16(27)7-8-17(19(18)28)34-22(39)12-5-4-6-14(9-12)26(29,30)31/h4-11H,1-3H3,(H,34,39)(H4,32,33,35,36,37,38,40)
InChIKeyJVEAGYCOPKIPGK-UHFFFAOYSA-N
MW592.41 g/mol
LogP6.77
Rot. Bonds4

About N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide (PubChem CID 15950890) has the molecular formula C26H22Cl2F3N7O2 and a molecular weight of 592.41 g/mol. Its IUPAC name is N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide
PubChem CID15950890
Molecular FormulaC26H22Cl2F3N7O2
Molecular Weight592.41 g/mol
Exact Mass591.12
IUPAC NameN-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C26H22Cl2F3N7O2/c1-25(2,3)38-24(40)37-21-15(10-13-11-33-23(32)36-20(13)35-21)18-16(27)7-8-17(19(18)28)34-22(39)12-5-4-6-14(9-12)26(29,30)31/h4-11H,1-3H3,(H,34,39)(H4,32,33,35,36,37,38,40)
InChIKeyJVEAGYCOPKIPGK-UHFFFAOYSA-N
XLogP6.77
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.41
LogP ≤ 56.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide 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-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide (CID 15950890) is N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide is CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JVEAGYCOPKIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F3N7O2/c1-25(2,3)38-24(40)37-21-15(10-13-11-33-23(32)36-20(13)35-21)18-16(27)7-8-17(19(18)28)34-22(39)12-5-4-6-14(9-12)26(29,30)31/h4-11H,1-3H3,(H,34,39)(H4,32,33,35,36,37,38,40).
What are the key properties of N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 592.41 g/mol, XLogP of 6.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-7-(tert-butylcarbamoylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichlorophenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 15950890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).