5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

C26H29N7O3 — CID 121435866

IUPAC5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1-c1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)C5CC5)CC4)cnc32)cc1
InChIInChI=1S/C26H29N7O3/c1-16-22(17(2)30-29-16)18-5-7-20(8-6-18)33-23-21(13-28-33)25(35)32(15-27-23)14-26(36)9-11-31(12-10-26)24(34)19-3-4-19/h5-8,13,15,19,36H,3-4,9-12,14H2,1-2H3,(H,29,30)
InChIKeyXEDMCIRPPJVXNO-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.35
Rot. Bonds5

About 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121435866) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121435866
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1-c1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)C5CC5)CC4)cnc32)cc1
InChIInChI=1S/C26H29N7O3/c1-16-22(17(2)30-29-16)18-5-7-20(8-6-18)33-23-21(13-28-33)25(35)32(15-27-23)14-26(36)9-11-31(12-10-26)24(34)19-3-4-19/h5-8,13,15,19,36H,3-4,9-12,14H2,1-2H3,(H,29,30)
InChIKeyXEDMCIRPPJVXNO-UHFFFAOYSA-N
XLogP2.35
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435763
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3-methyl-1,2-benzoxazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436401
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-difluorophenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435967
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-[2-(trifluoromethyl)pyrimidin-4-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121456898
1-[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436316
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2,4-difluorophenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436567
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121457085
3-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 121435761
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(4-pyrrolidin-3-yloxyphenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436003
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435882

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121435866) is 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1n[nH]c(C)c1-c1ccc(-n2ncc3c(=O)n(CC4(O)CCN(C(=O)C5CC5)CC4)cnc32)cc1.
What is the InChIKey of 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XEDMCIRPPJVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-16-22(17(2)30-29-16)18-5-7-20(8-6-18)33-23-21(13-28-33)25(35)32(15-27-23)14-26(36)9-11-31(12-10-26)24(34)19-3-4-19/h5-8,13,15,19,36H,3-4,9-12,14H2,1-2H3,(H,29,30).
What are the key properties of 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 487.56 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121435866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).