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

C26H34FN5O2 — CID 163200279

IUPAC[(3R,4R)-3-(4-fluorophenyl)-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESC[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H34FN5O2/c1-17-13-19-14-28-26(29-21-8-11-34-12-9-21)30-24(19)16-32(17)25(33)22-7-10-31(2)15-23(22)18-3-5-20(27)6-4-18/h3-6,14,17,21-23H,7-13,15-16H2,1-2H3,(H,28,29,30)/t17-,22-,23+/m1/s1
InChIKeySAKVDYAGNDYVCG-ZQMYSKGWSA-N
MW467.59 g/mol
LogP3.22
Rot. Bonds4

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

[(3R,4R)-3-(4-fluorophenyl)-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 163200279) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is [(3R,4R)-3-(4-fluorophenyl)-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,4R)-3-(4-fluorophenyl)-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID163200279
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name[(3R,4R)-3-(4-fluorophenyl)-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESC[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H34FN5O2/c1-17-13-19-14-28-26(29-21-8-11-34-12-9-21)30-24(19)16-32(17)25(33)22-7-10-31(2)15-23(22)18-3-5-20(27)6-4-18/h3-6,14,17,21-23H,7-13,15-16H2,1-2H3,(H,28,29,30)/t17-,22-,23+/m1/s1
InChIKeySAKVDYAGNDYVCG-ZQMYSKGWSA-N
XLogP3.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(4-fluorophenyl)-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,4R)-3-(4-fluorophenyl)-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 163200279) is [(3R,4R)-3-(4-fluorophenyl)-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,4R)-3-(4-fluorophenyl)-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,4R)-3-(4-fluorophenyl)-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]1c1ccc(F)cc1.
What is the InChIKey of [(3R,4R)-3-(4-fluorophenyl)-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 SAKVDYAGNDYVCG-ZQMYSKGWSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-17-13-19-14-28-26(29-21-8-11-34-12-9-21)30-24(19)16-32(17)25(33)22-7-10-31(2)15-23(22)18-3-5-20(27)6-4-18/h3-6,14,17,21-23H,7-13,15-16H2,1-2H3,(H,28,29,30)/t17-,22-,23+/m1/s1.
What are the key properties of [(3R,4R)-3-(4-fluorophenyl)-1-methylpiperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
[(3R,4R)-3-(4-fluorophenyl)-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 467.59 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(4-fluorophenyl)-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 163200279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).