N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide

C21H18FN5O3 — CID 91892651

IUPACN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cn1
InChIInChI=1S/C21H18FN5O3/c1-30-19-7-4-15(13-24-19)20(28)23-8-9-26-10-11-27-18(21(26)29)12-17(25-27)14-2-5-16(22)6-3-14/h2-7,10-13H,8-9H2,1H3,(H,23,28)
InChIKeyNKNIFRMGCCEZDK-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide

N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 91892651) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID91892651
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cn1
InChIInChI=1S/C21H18FN5O3/c1-30-19-7-4-15(13-24-19)20(28)23-8-9-26-10-11-27-18(21(26)29)12-17(25-27)14-2-5-16(22)6-3-14/h2-7,10-13H,8-9H2,1H3,(H,23,28)
InChIKeyNKNIFRMGCCEZDK-UHFFFAOYSA-N
XLogP2.14
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide (CID 91892651) is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cn1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is NKNIFRMGCCEZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-30-19-7-4-15(13-24-19)20(28)23-8-9-26-10-11-27-18(21(26)29)12-17(25-27)14-2-5-16(22)6-3-14/h2-7,10-13H,8-9H2,1H3,(H,23,28).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide?
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.14, 6 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]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 91892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).