4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C21H22N6O2 — CID 171387506

IUPAC4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(-c1cccnc1)nc2N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C21H22N6O2/c28-21-18-17(5-7-23-21)20(25-19(24-18)15-3-1-6-22-13-15)27-10-8-26(9-11-27)14-16-4-2-12-29-16/h1-4,6,12-13H,5,7-11,14H2,(H,23,28)
InChIKeyKFRDEMFJDOYSTQ-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.74
Rot. Bonds4

About 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387506) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387506
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESO=C1NCCc2c1nc(-c1cccnc1)nc2N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C21H22N6O2/c28-21-18-17(5-7-23-21)20(25-19(24-18)15-3-1-6-22-13-15)27-10-8-26(9-11-27)14-16-4-2-12-29-16/h1-4,6,12-13H,5,7-11,14H2,(H,23,28)
InChIKeyKFRDEMFJDOYSTQ-UHFFFAOYSA-N
XLogP1.74
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387770
4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388926
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386018
4-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388176
1-(8-oxo-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 171909290
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
2-pyridin-3-yl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385384
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
2-pyridin-3-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387424
1-(furan-2-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 71689644

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387506) is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is O=C1NCCc2c1nc(-c1cccnc1)nc2N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is KFRDEMFJDOYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21-18-17(5-7-23-21)20(25-19(24-18)15-3-1-6-22-13-15)27-10-8-26(9-11-27)14-16-4-2-12-29-16/h1-4,6,12-13H,5,7-11,14H2,(H,23,28).
What are the key properties of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 390.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).