N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide

C23H21FN4O4 — CID 91892661

IUPACN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-31-20-8-5-16(13-21(20)32-2)22(29)25-9-10-27-11-12-28-19(23(27)30)14-18(26-28)15-3-6-17(24)7-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,25,29)
InChIKeyKKVHTZFCOMGIOU-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide

N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide (PubChem CID 91892661) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
PubChem CID91892661
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-31-20-8-5-16(13-21(20)32-2)22(29)25-9-10-27-11-12-28-19(23(27)30)14-18(26-28)15-3-6-17(24)7-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,25,29)
InChIKeyKKVHTZFCOMGIOU-UHFFFAOYSA-N
XLogP2.75
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide (CID 91892661) is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is KKVHTZFCOMGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-31-20-8-5-16(13-21(20)32-2)22(29)25-9-10-27-11-12-28-19(23(27)30)14-18(26-28)15-3-6-17(24)7-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 436.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 91892661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).