N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide

C21H23N5O — CID 42515367

IUPACN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cn1
InChIInChI=1S/C21H23N5O/c1-14-11-23-18(13-22-14)20(27)25-17-9-21(2,3)10-19-16(17)12-24-26(19)15-7-5-4-6-8-15/h4-8,11-13,17H,9-10H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyIBNSQMWDABNPPU-KRWDZBQOSA-N
MW361.45 g/mol
LogP3.41
Rot. Bonds3

About N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide

N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 42515367) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID42515367
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cn1
InChIInChI=1S/C21H23N5O/c1-14-11-23-18(13-22-14)20(27)25-17-9-21(2,3)10-19-16(17)12-24-26(19)15-7-5-4-6-8-15/h4-8,11-13,17H,9-10H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyIBNSQMWDABNPPU-KRWDZBQOSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-imidazol-1-ylbenzamide
CID 26396897
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24791974
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97141764
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 45189876
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97124401

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide (CID 42515367) is N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cn1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IBNSQMWDABNPPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-11-23-18(13-22-14)20(27)25-17-9-21(2,3)10-19-16(17)12-24-26(19)15-7-5-4-6-8-15/h4-8,11-13,17H,9-10H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide?
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42515367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).