3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C30H30N4O3 — CID 118408333

IUPAC3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(O)CN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(C5CC5)cc4)cc3)c2C1=O
InChIInChI=1S/C30H30N4O3/c1-20(35)18-33-16-17-34-29(30(33)36)27(28(32-34)25-12-14-31-15-13-25)24-8-10-26(11-9-24)37-19-21-2-4-22(5-3-21)23-6-7-23/h2-5,8-15,20,23,35H,6-7,16-19H2,1H3
InChIKeyOJNCRVQIWDYIDK-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.91
Rot. Bonds8

About 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408333) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118408333
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(O)CN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(C5CC5)cc4)cc3)c2C1=O
InChIInChI=1S/C30H30N4O3/c1-20(35)18-33-16-17-34-29(30(33)36)27(28(32-34)25-12-14-31-15-13-25)24-8-10-26(11-9-24)37-19-21-2-4-22(5-3-21)23-6-7-23/h2-5,8-15,20,23,35H,6-7,16-19H2,1H3
InChIKeyOJNCRVQIWDYIDK-UHFFFAOYSA-N
XLogP4.91
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-4-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 162475030
N-{[4-(Propan-2-yloxy)phenyl]methyl}pyrazolo[1,5-A]pyridine-2-carboxamide
CID 16024936
6-(1-Methylpyrazol-4-yl)-3-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 145964002
N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24790444
N-[(4-propoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024938
N-[(4-ethoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024928
N-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-methyl-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide
CID 24794269
5-[(3-methoxyphenyl)methyl]-N-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26227139
[5-[(4-ethylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 45161685
(7S)-5-(3-ethoxyphenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117820802
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 130342094
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-(1-methyl-4-phenylpyrazol-3-yl)methanone
CID 130342119

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118408333) is 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(O)CN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(C5CC5)cc4)cc3)c2C1=O.
What is the InChIKey of 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OJNCRVQIWDYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-20(35)18-33-16-17-34-29(30(33)36)27(28(32-34)25-12-14-31-15-13-25)24-8-10-26(11-9-24)37-19-21-2-4-22(5-3-21)23-6-7-23/h2-5,8-15,20,23,35H,6-7,16-19H2,1H3.
What are the key properties of 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 494.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).