N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C29H28N4O4 — CID 165379942

IUPACN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2nn3c(C)c(-c4ccc5ccccc5c4)[nH]c(=O)c3c2C)c1
InChIInChI=1S/C29H28N4O4/c1-17-25(28(35)30-24(13-14-34)21-9-6-10-23(16-21)37-3)32-33-18(2)26(31-29(36)27(17)33)22-12-11-19-7-4-5-8-20(19)15-22/h4-12,15-16,24,34H,13-14H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyRBYHQBDBNSENRW-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.32
Rot. Bonds7

About N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165379942) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID165379942
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(C(CCO)NC(=O)c2nn3c(C)c(-c4ccc5ccccc5c4)[nH]c(=O)c3c2C)c1
InChIInChI=1S/C29H28N4O4/c1-17-25(28(35)30-24(13-14-34)21-9-6-10-23(16-21)37-3)32-33-18(2)26(31-29(36)27(17)33)22-12-11-19-7-4-5-8-20(19)15-22/h4-12,15-16,24,34H,13-14H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyRBYHQBDBNSENRW-UHFFFAOYSA-N
XLogP4.32
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-ethylpyrazol-3-yl)ethyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 165379764
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
CID 146208862
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
N-[3-hydroxy-1-(4-methoxyphenyl)propyl]-2-[(4-isoquinolin-6-yltriazol-1-yl)methyl]benzamide
CID 167890468
(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
CID 146207294
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146848186
6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156653298
3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide
CID 143076269
N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-2-(2-methylindol-1-yl)acetamide
CID 119034151

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165379942) is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(C(CCO)NC(=O)c2nn3c(C)c(-c4ccc5ccccc5c4)[nH]c(=O)c3c2C)c1.
What is the InChIKey of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is RBYHQBDBNSENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-17-25(28(35)30-24(13-14-34)21-9-6-10-23(16-21)37-3)32-33-18(2)26(31-29(36)27(17)33)22-12-11-19-7-4-5-8-20(19)15-22/h4-12,15-16,24,34H,13-14H2,1-3H3,(H,30,35)(H,31,36).
What are the key properties of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165379942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).