N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C23H23F3N6O2 — CID 71452252

IUPACN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C23H23F3N6O2/c1-13(2)34-21-16-12-32(22(33)30-18-11-27-8-6-14(18)3)9-7-17(16)29-20(31-21)15-4-5-19(28-10-15)23(24,25)26/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,30,33)
InChIKeyURRMMEURSODZAG-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.64
Rot. Bonds4

About N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71452252) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71452252
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C23H23F3N6O2/c1-13(2)34-21-16-12-32(22(33)30-18-11-27-8-6-14(18)3)9-7-17(16)29-20(31-21)15-4-5-19(28-10-15)23(24,25)26/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,30,33)
InChIKeyURRMMEURSODZAG-UHFFFAOYSA-N
XLogP4.64
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-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-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71452252) is N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)nc3)nc(OC(C)C)c2C1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is URRMMEURSODZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-13(2)34-21-16-12-32(22(33)30-18-11-27-8-6-14(18)3)9-7-17(16)29-20(31-21)15-4-5-19(28-10-15)23(24,25)26/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,30,33).
What are the key properties of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71452252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).