3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C20H21FN4O3 — CID 95183218

IUPAC3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C20H21FN4O3/c21-15-5-3-14(4-6-15)17-12-18-20(27)24(9-10-25(18)23-17)8-7-19(26)22-13-16-2-1-11-28-16/h3-6,9-10,12,16H,1-2,7-8,11,13H2,(H,22,26)/t16-/m0/s1
InChIKeyKTVMFPHHHVMKDF-INIZCTEOSA-N
MW384.41 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95183218) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95183218
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C20H21FN4O3/c21-15-5-3-14(4-6-15)17-12-18-20(27)24(9-10-25(18)23-17)8-7-19(26)22-13-16-2-1-11-28-16/h3-6,9-10,12,16H,1-2,7-8,11,13H2,(H,22,26)/t16-/m0/s1
InChIKeyKTVMFPHHHVMKDF-INIZCTEOSA-N
XLogP1.99
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95183228
N-[(4-bromophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332363
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 16884877
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332287
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
CID 99759367
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95183218) is 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC[C@@H]1CCCO1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is KTVMFPHHHVMKDF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-15-5-3-14(4-6-15)17-12-18-20(27)24(9-10-25(18)23-17)8-7-19(26)22-13-16-2-1-11-28-16/h3-6,9-10,12,16H,1-2,7-8,11,13H2,(H,22,26)/t16-/m0/s1.
What are the key properties of 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 384.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95183218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).