N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H22N4O2 — CID 75515213

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H22N4O2/c24-11-13(9-12-10-20-16-7-3-1-5-14(12)16)21-19(25)18-15-6-2-4-8-17(15)22-23-18/h1,3,5,7,10,13,20,24H,2,4,6,8-9,11H2,(H,21,25)(H,22,23)
InChIKeyPSGSODFPZCKRQO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.10
Rot. Bonds5

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 75515213) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID75515213
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC(CO)Cc1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2
InChIInChI=1S/C19H22N4O2/c24-11-13(9-12-10-20-16-7-3-1-5-14(12)16)21-19(25)18-15-6-2-4-8-17(15)22-23-18/h1,3,5,7,10,13,20,24H,2,4,6,8-9,11H2,(H,21,25)(H,22,23)
InChIKeyPSGSODFPZCKRQO-UHFFFAOYSA-N
XLogP2.10
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124721703
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
5-cyclohexyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 70753002
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
(8S)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124625161
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337288
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(hydroxymethyl)-2-propan-2-yloxybenzamide
CID 71036031
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71035632

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 75515213) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NC(CO)Cc1c[nH]c2ccccc12)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is PSGSODFPZCKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-11-13(9-12-10-20-16-7-3-1-5-14(12)16)21-19(25)18-15-6-2-4-8-17(15)22-23-18/h1,3,5,7,10,13,20,24H,2,4,6,8-9,11H2,(H,21,25)(H,22,23).
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 75515213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).