[(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

C25H33N5O — CID 163200200

IUPAC[(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(NCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H33N5O/c1-17-12-20-14-27-25(26-13-18-8-9-18)28-23(20)16-30(17)24(31)21-10-11-29(2)15-22(21)19-6-4-3-5-7-19/h3-7,14,17-18,21-22H,8-13,15-16H2,1-2H3,(H,26,27,28)/t17-,21+,22-/m1/s1
InChIKeyCEADLRSVHZOHBU-VOQZNFBZSA-N
MW419.57 g/mol
LogP3.31
Rot. Bonds5

About [(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

[(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (PubChem CID 163200200) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is [(6R)-2-(cyclopropylmethylamino)-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-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
PubChem CID163200200
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name[(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(NCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H33N5O/c1-17-12-20-14-27-25(26-13-18-8-9-18)28-23(20)16-30(17)24(31)21-10-11-29(2)15-22(21)19-6-4-3-5-7-19/h3-7,14,17-18,21-22H,8-13,15-16H2,1-2H3,(H,26,27,28)/t17-,21+,22-/m1/s1
InChIKeyCEADLRSVHZOHBU-VOQZNFBZSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6R)-2-(cyclopropylmethylamino)-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-(cyclopropylmethylamino)-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-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (CID 163200200) is [(6R)-2-(cyclopropylmethylamino)-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-(cyclopropylmethylamino)-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-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone is C[C@@H]1Cc2cnc(NCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1.
What is the InChIKey of [(6R)-2-(cyclopropylmethylamino)-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 CEADLRSVHZOHBU-VOQZNFBZSA-N. The full InChI is InChI=1S/C25H33N5O/c1-17-12-20-14-27-25(26-13-18-8-9-18)28-23(20)16-30(17)24(31)21-10-11-29(2)15-22(21)19-6-4-3-5-7-19/h3-7,14,17-18,21-22H,8-13,15-16H2,1-2H3,(H,26,27,28)/t17-,21+,22-/m1/s1.
What are the key properties of [(6R)-2-(cyclopropylmethylamino)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone?
[(6R)-2-(cyclopropylmethylamino)-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 419.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-(cyclopropylmethylamino)-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 163200200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).