[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone

C22H25FN4O3 — CID 92570243

IUPAC[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H25FN4O3/c23-15-5-7-16(8-6-15)30-20-17-14-27(21(28)19-4-3-13-29-19)12-9-18(17)24-22(25-20)26-10-1-2-11-26/h5-8,19H,1-4,9-14H2/t19-/m1/s1
InChIKeyPKQUHEGZKRZPIV-LJQANCHMSA-N
MW412.47 g/mol
LogP3.07
Rot. Bonds4

About [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone

[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 92570243) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID92570243
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H25FN4O3/c23-15-5-7-16(8-6-15)30-20-17-14-27(21(28)19-4-3-13-29-19)12-9-18(17)24-22(25-20)26-10-1-2-11-26/h5-8,19H,1-4,9-14H2/t19-/m1/s1
InChIKeyPKQUHEGZKRZPIV-LJQANCHMSA-N
XLogP3.07
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 92583619
(4-chlorophenyl)-[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050291
2-(4-fluorophenyl)-1-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 46073296
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 46050294
4-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072942
cyclopropyl-[4-(4-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050461
cyclopropyl-[4-(3-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871076
[4-(3,4-difluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-fluorophenyl)methanone
CID 46073442
4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072958
1-[4-(4-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 46073656
furan-2-yl-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050277
4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92570674

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone (CID 92570243) is [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is PKQUHEGZKRZPIV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-15-5-7-16(8-6-15)30-20-17-14-27(21(28)19-4-3-13-29-19)12-9-18(17)24-22(25-20)26-10-1-2-11-26/h5-8,19H,1-4,9-14H2/t19-/m1/s1.
What are the key properties of [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 412.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 92570243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).