N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H24N4O — CID 99863689

IUPACN-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1Cc2ccccc2N1CCNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O/c1-13-12-14-6-2-5-9-17(14)23(13)11-10-20-19(24)18-15-7-3-4-8-16(15)21-22-18/h2,5-6,9,13H,3-4,7-8,10-12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyHOYGGHQFCJUQCJ-ZDUSSCGKSA-N
MW324.43 g/mol
LogP2.47
Rot. Bonds4

About N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 99863689) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID99863689
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1Cc2ccccc2N1CCNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O/c1-13-12-14-6-2-5-9-17(14)23(13)11-10-20-19(24)18-15-7-3-4-8-16(15)21-22-18/h2,5-6,9,13H,3-4,7-8,10-12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyHOYGGHQFCJUQCJ-ZDUSSCGKSA-N
XLogP2.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
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(3H)granisetron
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AB-Chminaca
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Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
Facinicline
CID 9970357
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
Kw-2449
CID 11427553
Gne-9822
CID 74983355

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 99863689) is N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is C[C@H]1Cc2ccccc2N1CCNC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is HOYGGHQFCJUQCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-12-14-6-2-5-9-17(14)23(13)11-10-20-19(24)18-15-7-3-4-8-16(15)21-22-18/h2,5-6,9,13H,3-4,7-8,10-12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 99863689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).