N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide

C25H28F3N7O3 — CID 167416393

IUPACN-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2n[nH]c(C(F)(F)F)c2C)C3)cc1
InChIInChI=1S/C25H28F3N7O3/c1-12(2)30-24-31-18-11-34(23(38)19-14(4)20(33-32-19)25(26,27)28)13(3)10-17(18)22(37)35(24)16-8-6-15(7-9-16)21(36)29-5/h6-9,12-13H,10-11H2,1-5H3,(H,29,36)(H,30,31)(H,32,33)/t13-/m1/s1
InChIKeyDKTDKXGDFFQNNM-CYBMUJFWSA-N
MW531.54 g/mol
LogP3.05
Rot. Bonds5

About N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide

N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide (PubChem CID 167416393) has the molecular formula C25H28F3N7O3 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide
PubChem CID167416393
Molecular FormulaC25H28F3N7O3
Molecular Weight531.54 g/mol
Exact Mass531.22
IUPAC NameN-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2n[nH]c(C(F)(F)F)c2C)C3)cc1
InChIInChI=1S/C25H28F3N7O3/c1-12(2)30-24-31-18-11-34(23(38)19-14(4)20(33-32-19)25(26,27)28)13(3)10-17(18)22(37)35(24)16-8-6-15(7-9-16)21(36)29-5/h6-9,12-13H,10-11H2,1-5H3,(H,29,36)(H,30,31)(H,32,33)/t13-/m1/s1
InChIKeyDKTDKXGDFFQNNM-CYBMUJFWSA-N
XLogP3.05
TPSA125.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide with MolForge

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Related Compounds

6-methyl-3-[4-(methylcarbamoyl)phenyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 155102246
4-[(6R)-7-[3-bromo-4-(trifluoromethyl)benzoyl]-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 166985970
4-[(6R)-7-(4-chloro-3-methylbenzoyl)-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113202
4-[(6R)-7-(4-bromo-3,5-difluorobenzoyl)-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113463
N-methyl-4-[(6R)-6-methyl-7-(1-methylindazole-3-carbonyl)-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide
CID 167416535
4-[(6R)-7-(4-bromo-2-chloro-5-fluorobenzoyl)-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113364
4-[(6R)-7-[3-chloro-4-(difluoromethoxy)benzoyl]-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113198
2-chloro-4-[(6R)-7-[4-chloro-3-(trifluoromethyl)benzoyl]-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113670
4-[(6R)-2-[[(2R)-1-[2-chloro-4-(trifluoromethyl)phenyl]propan-2-yl]amino]-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 167416542
4-[(6R)-7-(6-methoxy-1-benzothiophene-2-carbonyl)-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113386
4-[(6R)-7-(3,4-dichlorobenzoyl)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
CID 155113532
CID 155691211
CID 155691211

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide?
The IUPAC name of N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide (CID 167416393) is N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide is CNC(=O)c1ccc(-n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2n[nH]c(C(F)(F)F)c2C)C3)cc1.
What is the InChIKey of N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide?
The InChIKey is DKTDKXGDFFQNNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H28F3N7O3/c1-12(2)30-24-31-18-11-34(23(38)19-14(4)20(33-32-19)25(26,27)28)13(3)10-17(18)22(37)35(24)16-8-6-15(7-9-16)21(36)29-5/h6-9,12-13H,10-11H2,1-5H3,(H,29,36)(H,30,31)(H,32,33)/t13-/m1/s1.
What are the key properties of N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide?
N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide has a molecular weight of 531.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6R)-6-methyl-7-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 167416393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).