N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide

C20H21N5O2 — CID 51494498

IUPACN-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C20H21N5O2/c1-13-10-22-18(12-21-13)20(26)24-17-4-3-5-19-16(17)11-23-25(19)14-6-8-15(27-2)9-7-14/h6-12,17H,3-5H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyVFBVTNBVEROKBS-KRWDZBQOSA-N
MW363.42 g/mol
LogP2.79
Rot. Bonds4

About N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide

N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 51494498) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID51494498
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C20H21N5O2/c1-13-10-22-18(12-21-13)20(26)24-17-4-3-5-19-16(17)11-23-25(19)14-6-8-15(27-2)9-7-14/h6-12,17H,3-5H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyVFBVTNBVEROKBS-KRWDZBQOSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518
N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 92598354
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77068373
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
2-(2,5-dimethoxyphenyl)-N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42193500
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
2,5-dimethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384821

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide (CID 51494498) is N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide is COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VFBVTNBVEROKBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-10-22-18(12-21-13)20(26)24-17-4-3-5-19-16(17)11-23-25(19)14-6-8-15(27-2)9-7-14/h6-12,17H,3-5H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51494498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).