N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C28H24N4O2 — CID 165379884

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCc3ccccc32)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12
InChIInChI=1S/C28H24N4O2/c1-16-24(27(33)29-23-14-13-19-8-5-6-10-22(19)23)31-32-17(2)25(30-28(34)26(16)32)21-12-11-18-7-3-4-9-20(18)15-21/h3-12,15,23H,13-14H2,1-2H3,(H,29,33)(H,30,34)/t23-/m0/s1
InChIKeyIYDGOVMYQPKWIN-QHCPKHFHSA-N
MW448.53 g/mol
LogP4.88
Rot. Bonds3

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

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 165379884) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID165379884
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCc3ccccc32)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12
InChIInChI=1S/C28H24N4O2/c1-16-24(27(33)29-23-14-13-19-8-5-6-10-22(19)23)31-32-17(2)25(30-28(34)26(16)32)21-12-11-18-7-3-4-9-20(18)15-21/h3-12,15,23H,13-14H2,1-2H3,(H,29,33)(H,30,34)/t23-/m0/s1
InChIKeyIYDGOVMYQPKWIN-QHCPKHFHSA-N
XLogP4.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

3,7-dimethyl-6-naphthalen-2-yl-4-oxo-N-(1-phenylcyclopropyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 165379890
6-naphthalen-2-yl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 165379848
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795147
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69362975
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
CID 159739463
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 165379884) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1c(C(=O)N[C@H]2CCc3ccccc32)nn2c(C)c(-c3ccc4ccccc4c3)[nH]c(=O)c12.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is IYDGOVMYQPKWIN-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-16-24(27(33)29-23-14-13-19-8-5-6-10-22(19)23)31-32-17(2)25(30-28(34)26(16)32)21-12-11-18-7-3-4-9-20(18)15-21/h3-12,15,23H,13-14H2,1-2H3,(H,29,33)(H,30,34)/t23-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3,7-dimethyl-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 165379884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).