N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

C17H19N3O2 — CID 138708002

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1n[nH]c2c1CCCC2)C1OCCc2ccccc21
InChIInChI=1S/C17H19N3O2/c21-17(15-12-6-2-1-5-11(12)9-10-22-15)18-16-13-7-3-4-8-14(13)19-20-16/h1-2,5-6,15H,3-4,7-10H2,(H2,18,19,20,21)
InChIKeyLTPMQNBVIWSABY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 138708002) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID138708002
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(Nc1n[nH]c2c1CCCC2)C1OCCc2ccccc21
InChIInChI=1S/C17H19N3O2/c21-17(15-12-6-2-1-5-11(12)9-10-22-15)18-16-13-7-3-4-8-14(13)19-20-16/h1-2,5-6,15H,3-4,7-10H2,(H2,18,19,20,21)
InChIKeyLTPMQNBVIWSABY-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
N-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 115752894
(1S)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97350393
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
N-(2-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829352
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982
1-(3,4-dihydro-1H-isochromene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 119994934
N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 107301314

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 138708002) is N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(Nc1n[nH]c2c1CCCC2)C1OCCc2ccccc21.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is LTPMQNBVIWSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(15-12-6-2-1-5-11(12)9-10-22-15)18-16-13-7-3-4-8-14(13)19-20-16/h1-2,5-6,15H,3-4,7-10H2,(H2,18,19,20,21).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 138708002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).