6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H22N6O2 — CID 135944266

IUPAC6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccco1)CC2
InChIInChI=1S/C26H22N6O2/c33-26-21-17-31(13-10-22(21)28-25(29-26)18-8-11-27-12-9-18)15-19-16-32(20-5-2-1-3-6-20)30-24(19)23-7-4-14-34-23/h1-9,11-12,14,16H,10,13,15,17H2,(H,28,29,33)
InChIKeyUPXKGDVYJXXHLQ-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.84
Rot. Bonds5

About 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944266) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944266
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccco1)CC2
InChIInChI=1S/C26H22N6O2/c33-26-21-17-31(13-10-22(21)28-25(29-26)18-8-11-27-12-9-18)15-19-16-32(20-5-2-1-3-6-20)30-24(19)23-7-4-14-34-23/h1-9,11-12,14,16H,10,13,15,17H2,(H,28,29,33)
InChIKeyUPXKGDVYJXXHLQ-UHFFFAOYSA-N
XLogP3.84
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943151
6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521
6-(2-phenylethyl)-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137309732
2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947190
2-(furan-2-yl)-6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944110
2-(furan-2-yl)-6-[(2-methylsulfanylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918157
2-(4-aminophenyl)-6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946253
2-(furan-2-yl)-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945250
6-[(2-ethylphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917731
6-[(4-phenyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947659
6-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917674
6-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944866

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944266) is 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccco1)CC2.
What is the InChIKey of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UPXKGDVYJXXHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c33-26-21-17-31(13-10-22(21)28-25(29-26)18-8-11-27-12-9-18)15-19-16-32(20-5-2-1-3-6-20)30-24(19)23-7-4-14-34-23/h1-9,11-12,14,16H,10,13,15,17H2,(H,28,29,33).
What are the key properties of 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 450.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).