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

C25H32FN5O2 — CID 118369567

IUPAC2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1c1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1
InChIInChI=1S/C25H32FN5O2/c26-20-6-4-18(5-7-20)23-3-1-2-11-30(23)17-24(32)31-12-8-19-15-27-25(29-22(19)16-31)28-21-9-13-33-14-10-21/h4-7,15,21,23H,1-3,8-14,16-17H2,(H,27,28,29)/t23-/m1/s1
InChIKeyZDURYKHOVINXHX-HSZRJFAPSA-N
MW453.56 g/mol
LogP3.32
Rot. Bonds5

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

2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 118369567) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID118369567
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1c1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1
InChIInChI=1S/C25H32FN5O2/c26-20-6-4-18(5-7-20)23-3-1-2-11-30(23)17-24(32)31-12-8-19-15-27-25(29-22(19)16-31)28-21-9-13-33-14-10-21/h4-7,15,21,23H,1-3,8-14,16-17H2,(H,27,28,29)/t23-/m1/s1
InChIKeyZDURYKHOVINXHX-HSZRJFAPSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3R,4R)-4-(4-fluorophenoxy)oxolan-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369511
N-[(4R)-4-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369658
7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 122181357
3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
CID 118020985
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369515
N-[(1R)-1-(3-chloro-4-cyanophenyl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369905
N-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-1-methylpyrrolidin-3-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 123545260
tert-butyl 2-[[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 118369915
N-[(1R)-1-(4-fluorophenyl)propyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159160288
N-[1-(3-chloro-4-cyanophenyl)-1,3-diiminopropan-2-yl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 123390306
[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl] N-[(3S,4R)-4-(4-fluoro-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]carbamate
CID 118021003
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 163200344

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 118369567) is 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is O=C(CN1CCCC[C@@H]1c1ccc(F)cc1)N1CCc2cnc(NC3CCOCC3)nc2C1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is ZDURYKHOVINXHX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H32FN5O2/c26-20-6-4-18(5-7-20)23-3-1-2-11-30(23)17-24(32)31-12-8-19-15-27-25(29-22(19)16-31)28-21-9-13-33-14-10-21/h4-7,15,21,23H,1-3,8-14,16-17H2,(H,27,28,29)/t23-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 453.56 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-1-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 118369567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).