N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide

C32H31F3N6O2 — CID 137425603

IUPACN-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CC(C)(C)OCc1ccccc1
InChIInChI=1S/C32H31F3N6O2/c1-20-15-23(29-36-17-24-28(39-29)21(2)16-27(38-24)32(33,34)35)11-12-25(20)40(5)30(42)26-13-14-37-41(26)19-31(3,4)43-18-22-9-7-6-8-10-22/h6-17H,18-19H2,1-5H3
InChIKeyUUVWTWQEPIOPAI-UHFFFAOYSA-N
MW588.63 g/mol
LogP6.80
Rot. Bonds8

About N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide

N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide (PubChem CID 137425603) has the molecular formula C32H31F3N6O2 and a molecular weight of 588.63 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide
PubChem CID137425603
Molecular FormulaC32H31F3N6O2
Molecular Weight588.63 g/mol
Exact Mass588.25
IUPAC NameN-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CC(C)(C)OCc1ccccc1
InChIInChI=1S/C32H31F3N6O2/c1-20-15-23(29-36-17-24-28(39-29)21(2)16-27(38-24)32(33,34)35)11-12-25(20)40(5)30(42)26-13-14-37-41(26)19-31(3,4)43-18-22-9-7-6-8-10-22/h6-17H,18-19H2,1-5H3
InChIKeyUUVWTWQEPIOPAI-UHFFFAOYSA-N
XLogP6.80
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.63
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide (CID 137425603) is N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide is Cc1cc(-c2ncc3nc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1CC(C)(C)OCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide?
The InChIKey is UUVWTWQEPIOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O2/c1-20-15-23(29-36-17-24-28(39-29)21(2)16-27(38-24)32(33,34)35)11-12-25(20)40(5)30(42)26-13-14-37-41(26)19-31(3,4)43-18-22-9-7-6-8-10-22/h6-17H,18-19H2,1-5H3.
What are the key properties of N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide?
N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide has a molecular weight of 588.63 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 137425603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).