N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide

C24H20F3N5O2 — CID 45272745

IUPACN-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1
InChIInChI=1S/C24H20F3N5O2/c1-14(13-16-7-4-3-5-8-16)32-22(20-18(30-15(2)33)9-6-11-28-20)31-17-10-12-29-21(24(25,26)27)19(17)23(32)34/h3-12,14H,13H2,1-2H3,(H,30,33)/t14-/m1/s1
InChIKeyRAZQLZRMUYUBGW-CQSZACIVSA-N
MW467.45 g/mol
LogP4.63
Rot. Bonds5

About N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide

N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide (PubChem CID 45272745) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
PubChem CID45272745
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1
InChIInChI=1S/C24H20F3N5O2/c1-14(13-16-7-4-3-5-8-16)32-22(20-18(30-15(2)33)9-6-11-28-20)31-17-10-12-29-21(24(25,26)27)19(17)23(32)34/h3-12,14H,13H2,1-2H3,(H,30,33)/t14-/m1/s1
InChIKeyRAZQLZRMUYUBGW-CQSZACIVSA-N
XLogP4.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]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-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide (CID 45272745) is N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1.
What is the InChIKey of N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is RAZQLZRMUYUBGW-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14(13-16-7-4-3-5-8-16)32-22(20-18(30-15(2)33)9-6-11-28-20)31-17-10-12-29-21(24(25,26)27)19(17)23(32)34/h3-12,14H,13H2,1-2H3,(H,30,33)/t14-/m1/s1.
What are the key properties of N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide?
N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 45272745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).