2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C19H26N4O2 — CID 171385853

IUPAC2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(C1CC1)nc2N1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-15-14(3-8-20-18)17(22-16(21-15)13-1-2-13)23-9-4-19(5-10-23)6-11-25-12-7-19/h13H,1-12H2,(H,20,24)
InChIKeyBBZORVXBOSPBEZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds2

About 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171385853) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171385853
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(C1CC1)nc2N1CCC2(CCOCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-15-14(3-8-20-18)17(22-16(21-15)13-1-2-13)23-9-4-19(5-10-23)6-11-25-12-7-19/h13H,1-12H2,(H,20,24)
InChIKeyBBZORVXBOSPBEZ-UHFFFAOYSA-N
XLogP2.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386634
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385438
4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171910206
2-cyclopropyl-4-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387272
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387414
2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388215
2-cyclopropyl-4-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387337
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389765
2-cyclopropyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388561
4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192899
4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171385853) is 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c1nc(C1CC1)nc2N1CCC2(CCOCC2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is BBZORVXBOSPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-15-14(3-8-20-18)17(22-16(21-15)13-1-2-13)23-9-4-19(5-10-23)6-11-25-12-7-19/h13H,1-12H2,(H,20,24).
What are the key properties of 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 342.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171385853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).