3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide

C23H27FN6O5 — CID 68994020

IUPAC3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
SMILESO=C(Nc1ccn(CC(O)CO)n1)C(CC1CCCC1)n1ncc(Oc2ncccc2F)cc1=O
InChIInChI=1S/C23H27FN6O5/c24-18-6-3-8-25-23(18)35-17-11-21(33)30(26-12-17)19(10-15-4-1-2-5-15)22(34)27-20-7-9-29(28-20)13-16(32)14-31/h3,6-9,11-12,15-16,19,31-32H,1-2,4-5,10,13-14H2,(H,27,28,34)
InChIKeyXGMJOQMRKORCMF-UHFFFAOYSA-N
MW486.50 g/mol
LogP1.88
Rot. Bonds10

About 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide

3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide (PubChem CID 68994020) has the molecular formula C23H27FN6O5 and a molecular weight of 486.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
PubChem CID68994020
Molecular FormulaC23H27FN6O5
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
SMILESO=C(Nc1ccn(CC(O)CO)n1)C(CC1CCCC1)n1ncc(Oc2ncccc2F)cc1=O
InChIInChI=1S/C23H27FN6O5/c24-18-6-3-8-25-23(18)35-17-11-21(33)30(26-12-17)19(10-15-4-1-2-5-15)22(34)27-20-7-9-29(28-20)13-16(32)14-31/h3,6-9,11-12,15-16,19,31-32H,1-2,4-5,10,13-14H2,(H,27,28,34)
InChIKeyXGMJOQMRKORCMF-UHFFFAOYSA-N
XLogP1.88
TPSA144.39 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide
CID 68991204
N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-6-oxopyridazin-1-yl]-3-(oxan-4-yl)propanamide
CID 66891635
3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
CID 143878437
(2S)-3-cyclohexyl-2-[4-(2,6-difluorophenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 90978749
3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
3-cyclopentyl-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(2-fluoro-5-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 68990492
2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide;hydrochloride
CID 66899580
2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
CID 66899999
(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide
CID 141369662
2-[4-(benzenesulfinyl)-6-oxopyridazin-1-yl]-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 68991679
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 67190733
3-cyclohexyl-2-[4-(2-fluoro-4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)azaborol-3-yl]propanamide
CID 143878440

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide (CID 68994020) is 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide is O=C(Nc1ccn(CC(O)CO)n1)C(CC1CCCC1)n1ncc(Oc2ncccc2F)cc1=O.
What is the InChIKey of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
The InChIKey is XGMJOQMRKORCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O5/c24-18-6-3-8-25-23(18)35-17-11-21(33)30(26-12-17)19(10-15-4-1-2-5-15)22(34)27-20-7-9-29(28-20)13-16(32)14-31/h3,6-9,11-12,15-16,19,31-32H,1-2,4-5,10,13-14H2,(H,27,28,34).
What are the key properties of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide?
3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 486.50 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 68994020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).