(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide

C20H32N4O3 — CID 162635625

IUPAC(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCCN(C)C(=O)[C@H]1CC[C@H](NC(=O)CCc2n[nH]c3c2CCCC3)[C@@H](O)C1
InChIInChI=1S/C20H32N4O3/c1-3-24(2)20(27)13-8-9-17(18(25)12-13)21-19(26)11-10-16-14-6-4-5-7-15(14)22-23-16/h13,17-18,25H,3-12H2,1-2H3,(H,21,26)(H,22,23)/t13-,17-,18-/m0/s1
InChIKeyRTHVUFXMTYNFGC-KKXDTOCCSA-N
MW376.50 g/mol
LogP1.35
Rot. Bonds6

About (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide

(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 162635625) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID162635625
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCCN(C)C(=O)[C@H]1CC[C@H](NC(=O)CCc2n[nH]c3c2CCCC3)[C@@H](O)C1
InChIInChI=1S/C20H32N4O3/c1-3-24(2)20(27)13-8-9-17(18(25)12-13)21-19(26)11-10-16-14-6-4-5-7-15(14)22-23-16/h13,17-18,25H,3-12H2,1-2H3,(H,21,26)(H,22,23)/t13-,17-,18-/m0/s1
InChIKeyRTHVUFXMTYNFGC-KKXDTOCCSA-N
XLogP1.35
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91787839
(3R)-N,N-dimethyl-3-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]azepane-1-carboxamide
CID 96580100
(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74248920
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
CID 7236613
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50977335
N-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 125164849
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 122569470
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 56887566
(3R)-1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95226609
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50976082

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide (CID 162635625) is (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide is CCN(C)C(=O)[C@H]1CC[C@H](NC(=O)CCc2n[nH]c3c2CCCC3)[C@@H](O)C1.
What is the InChIKey of (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is RTHVUFXMTYNFGC-KKXDTOCCSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-24(2)20(27)13-8-9-17(18(25)12-13)21-19(26)11-10-16-14-6-4-5-7-15(14)22-23-16/h13,17-18,25H,3-12H2,1-2H3,(H,21,26)(H,22,23)/t13-,17-,18-/m0/s1.
What are the key properties of (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
(1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-N-ethyl-3-hydroxy-N-methyl-4-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 162635625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).