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

C22H25FN4O2 — CID 92583619

IUPAC[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H25FN4O2/c1-14-12-17(14)21(28)27-11-8-19-18(13-27)20(29-16-6-4-15(23)5-7-16)25-22(24-19)26-9-2-3-10-26/h4-7,14,17H,2-3,8-13H2,1H3/t14-,17+/m0/s1
InChIKeyBYRURXNSASYPEX-WMLDXEAASA-N
MW396.47 g/mol
LogP3.55
Rot. Bonds4

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

[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone (PubChem CID 92583619) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
PubChem CID92583619
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@H]1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H25FN4O2/c1-14-12-17(14)21(28)27-11-8-19-18(13-27)20(29-16-6-4-15(23)5-7-16)25-22(24-19)26-9-2-3-10-26/h4-7,14,17H,2-3,8-13H2,1H3/t14-,17+/m0/s1
InChIKeyBYRURXNSASYPEX-WMLDXEAASA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]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]-[(2R)-oxolan-2-yl]methanone
CID 92570243
(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
(3-fluorophenyl)-[4-(4-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050352
cyclopropyl-[4-(4-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050461
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
cyclopropyl-[4-(3-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871076
furan-2-yl-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050277
(2-chlorophenyl)-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855415

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]-[(1R,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of [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) is [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]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]-[(1R,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@H]1C(=O)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]-[(1R,2S)-2-methylcyclopropyl]methanone?
The InChIKey is BYRURXNSASYPEX-WMLDXEAASA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14-12-17(14)21(28)27-11-8-19-18(13-27)20(29-16-6-4-15(23)5-7-16)25-22(24-19)26-9-2-3-10-26/h4-7,14,17H,2-3,8-13H2,1H3/t14-,17+/m0/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]-[(1R,2S)-2-methylcyclopropyl]methanone?
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone has a molecular weight of 396.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-[(1R,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 92583619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).