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

C23H35N5O2 — CID 163200262

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

[(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 163200262) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

• Compound Name: [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
• PubChem CID: 163200262
• Molecular Formula: C23H35N5O2
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.28
• IUPAC Name: [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
• SMILES: C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CC1
• InChI: InChI=1S/C23H35N5O2/c1-15-11-17-12-24-23(25-18-6-9-30-10-7-18)26-21(17)14-28(15)22(29)19-5-8-27(2)13-20(19)16-3-4-16/h12,15-16,18-20H,3-11,13-14H2,1-2H3,(H,24,25,26)/t15-,19+,20-/m1/s1
• InChIKey: CXIDPTJAGRTYQO-UIAACRFSSA-N
• XLogP: 2.32
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The IUPAC name of [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 163200262) is [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

What is the SMILES notation for [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The canonical SMILES for [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CC1.

What is the InChIKey of [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The InChIKey is CXIDPTJAGRTYQO-UIAACRFSSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-15-11-17-12-24-23(25-18-6-9-30-10-7-18)26-21(17)14-28(15)22(29)19-5-8-27(2)13-20(19)16-3-4-16/h12,15-16,18-20H,3-11,13-14H2,1-2H3,(H,24,25,26)/t15-,19+,20-/m1/s1.

What are the key properties of [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

[(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 413.57 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S)-3-cyclopropyl-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 163200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).