[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone

C26H30F3N7O2 — CID 163200274

IUPAC[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H30F3N7O2/c1-16-9-18-11-30-25(32-19-12-31-35(3)13-19)33-23(18)15-36(16)24(37)21-7-8-34(2)14-22(21)17-5-4-6-20(10-17)38-26(27,28)29/h4-6,10-13,16,21-22H,7-9,14-15H2,1-3H3,(H,30,32,33)/t16-,21-,22+/m1/s1
InChIKeyZYCOATOBQPSLRN-HVETUWLQSA-N
MW529.57 g/mol
LogP3.86
Rot. Bonds5

About [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone

[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone (PubChem CID 163200274) has the molecular formula C26H30F3N7O2 and a molecular weight of 529.57 g/mol. Its IUPAC name is [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone
PubChem CID163200274
Molecular FormulaC26H30F3N7O2
Molecular Weight529.57 g/mol
Exact Mass529.24
IUPAC Name[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H30F3N7O2/c1-16-9-18-11-30-25(32-19-12-31-35(3)13-19)33-23(18)15-36(16)24(37)21-7-8-34(2)14-22(21)17-5-4-6-20(10-17)38-26(27,28)29/h4-6,10-13,16,21-22H,7-9,14-15H2,1-3H3,(H,30,32,33)/t16-,21-,22+/m1/s1
InChIKeyZYCOATOBQPSLRN-HVETUWLQSA-N
XLogP3.86
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[(6R)-6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone
CID 171400759
[(6R)-2-[(1,3-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 171400773
[(6R)-2-[(1,5-dimethylpyrazol-4-yl)amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163219589
[(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163200246
[(6R)-6-methyl-2-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163200232
[(6R)-2-(benzylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-3-phenyl-1-(trideuteriomethyl)piperidin-4-yl]methanone
CID 171400775
[(6R)-6-methyl-2-[[(9S)-6-oxaspiro[4.5]decan-9-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 171400708
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
CID 163200321
[(3S)-3-methyl-7-[(1-methylpyrazol-3-yl)methylamino]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
CID 163219554
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 163200344
4-[3-(1-methylpiperidin-4-yl)oxyanilino]-2-[(1-methylpyrazol-4-yl)amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 172628955
4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 163280858

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone?
The IUPAC name of [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone (CID 163200274) is [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone?
The canonical SMILES for [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone is C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone?
The InChIKey is ZYCOATOBQPSLRN-HVETUWLQSA-N. The full InChI is InChI=1S/C26H30F3N7O2/c1-16-9-18-11-30-25(32-19-12-31-35(3)13-19)33-23(18)15-36(16)24(37)21-7-8-34(2)14-22(21)17-5-4-6-20(10-17)38-26(27,28)29/h4-6,10-13,16,21-22H,7-9,14-15H2,1-3H3,(H,30,32,33)/t16-,21-,22+/m1/s1.
What are the key properties of [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone?
[(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone has a molecular weight of 529.57 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-4-yl]methanone is sourced from PubChem (CID 163200274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).