N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide

C24H24FN5O3 — CID 42391284

IUPACN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-16(2)33-19-9-7-17(8-10-19)23(31)26-11-12-30-22-20(13-28-30)24(32)29(15-27-22)14-18-5-3-4-6-21(18)25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,31)
InChIKeyQGQCCUIHDXGXCO-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide

N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 42391284) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID42391284
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1
InChIInChI=1S/C24H24FN5O3/c1-16(2)33-19-9-7-17(8-10-19)23(31)26-11-12-30-22-20(13-28-30)24(32)29(15-27-22)14-18-5-3-4-6-21(18)25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,31)
InChIKeyQGQCCUIHDXGXCO-UHFFFAOYSA-N
XLogP3.00
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide (CID 42391284) is N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1.
What is the InChIKey of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is QGQCCUIHDXGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-16(2)33-19-9-7-17(8-10-19)23(31)26-11-12-30-22-20(13-28-30)24(32)29(15-27-22)14-18-5-3-4-6-21(18)25/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 449.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 42391284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).