2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide

C24H23ClFN5O3 — CID 40908823

IUPAC2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C24H23ClFN5O3/c1-24(2,34-19-8-6-17(25)7-9-19)23(33)27-10-11-31-21-20(13-29-31)22(32)30(15-28-21)14-16-4-3-5-18(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33)
InChIKeyOEVOBORPBDSOLO-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.41
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide (PubChem CID 40908823) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
PubChem CID40908823
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C24H23ClFN5O3/c1-24(2,34-19-8-6-17(25)7-9-19)23(33)27-10-11-31-21-20(13-29-31)22(32)30(15-28-21)14-16-4-3-5-18(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33)
InChIKeyOEVOBORPBDSOLO-UHFFFAOYSA-N
XLogP3.41
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide (CID 40908823) is 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is OEVOBORPBDSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-24(2,34-19-8-6-17(25)7-9-19)23(33)27-10-11-31-21-20(13-29-31)22(32)30(15-28-21)14-16-4-3-5-18(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 483.93 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 40908823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).