[(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

C26H33N7O — CID 171400773

IUPAC[(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
SMILESCc1nn(C)cc1Nc1ncc2c(n1)CN(C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)C2
InChIInChI=1S/C26H33N7O/c1-17-12-20-13-27-26(28-23-15-32(4)30-18(23)2)29-24(20)16-33(17)25(34)21-10-11-31(3)14-22(21)19-8-6-5-7-9-19/h5-9,13,15,17,21-22H,10-12,14,16H2,1-4H3,(H,27,28,29)/t17-,21+,22-/m1/s1
InChIKeyOXEBTQLSENWFDX-VOQZNFBZSA-N
MW459.60 g/mol
LogP3.27
Rot. Bonds4

About [(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

[(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 (PubChem CID 171400773) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID171400773
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name[(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
SMILESCc1nn(C)cc1Nc1ncc2c(n1)CN(C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)C2
InChIInChI=1S/C26H33N7O/c1-17-12-20-13-27-26(28-23-15-32(4)30-18(23)2)29-24(20)16-33(17)25(34)21-10-11-31(3)14-22(21)19-8-6-5-7-9-19/h5-9,13,15,17,21-22H,10-12,14,16H2,1-4H3,(H,27,28,29)/t17-,21+,22-/m1/s1
InChIKeyOXEBTQLSENWFDX-VOQZNFBZSA-N
XLogP3.27
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nn(C)cc1Nc1ncc2c(n1)CN(C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)C2.
What is the InChIKey of [(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?
The InChIKey is OXEBTQLSENWFDX-VOQZNFBZSA-N. The full InChI is InChI=1S/C26H33N7O/c1-17-12-20-13-27-26(28-23-15-32(4)30-18(23)2)29-24(20)16-33(17)25(34)21-10-11-31(3)14-22(21)19-8-6-5-7-9-19/h5-9,13,15,17,21-22H,10-12,14,16H2,1-4H3,(H,27,28,29)/t17-,21+,22-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 459.60 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 171400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).