[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone

C25H34N6O2 — CID 163200265

IUPAC[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccncc1
InChIInChI=1S/C25H34N6O2/c1-17-13-19-14-27-25(28-20-6-11-33-12-7-20)29-23(19)16-31(17)24(32)21-5-10-30(2)15-22(21)18-3-8-26-9-4-18/h3-4,8-9,14,17,20-22H,5-7,10-13,15-16H2,1-2H3,(H,27,28,29)/t17-,21-,22+/m1/s1
InChIKeyYFIVXYKVZXRPAD-YHYVQYDKSA-N
MW450.59 g/mol
LogP2.47
Rot. Bonds4

About [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone

[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone (PubChem CID 163200265) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone
PubChem CID163200265
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone
SMILESC[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccncc1
InChIInChI=1S/C25H34N6O2/c1-17-13-19-14-27-25(28-20-6-11-33-12-7-20)29-23(19)16-31(17)24(32)21-5-10-30(2)15-22(21)18-3-8-26-9-4-18/h3-4,8-9,14,17,20-22H,5-7,10-13,15-16H2,1-2H3,(H,27,28,29)/t17-,21-,22+/m1/s1
InChIKeyYFIVXYKVZXRPAD-YHYVQYDKSA-N
XLogP2.47
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone?
The IUPAC name of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone (CID 163200265) is [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone.
What is the SMILES notation for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone?
The canonical SMILES for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone is C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccncc1.
What is the InChIKey of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone?
The InChIKey is YFIVXYKVZXRPAD-YHYVQYDKSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-17-13-19-14-27-25(28-20-6-11-33-12-7-20)29-23(19)16-31(17)24(32)21-5-10-30(2)15-22(21)18-3-8-26-9-4-18/h3-4,8-9,14,17,20-22H,5-7,10-13,15-16H2,1-2H3,(H,27,28,29)/t17-,21-,22+/m1/s1.
What are the key properties of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone?
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone has a molecular weight of 450.59 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone is sourced from PubChem (CID 163200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).