N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide

C20H30N6O2 — CID 122569564

IUPACN-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCc1cc(CN2CC[C@]3(OC)CC[C@@H](NC(=O)c4nc[nH]c4C)C[C@H]23)[nH]n1
InChIInChI=1S/C20H30N6O2/c1-4-14-9-16(25-24-14)11-26-8-7-20(28-3)6-5-15(10-17(20)26)23-19(27)18-13(2)21-12-22-18/h9,12,15,17H,4-8,10-11H2,1-3H3,(H,21,22)(H,23,27)(H,24,25)/t15-,17+,20-/m1/s1
InChIKeyNLTHFNPXYXXWKY-OXFYSEKESA-N
MW386.50 g/mol
LogP1.95
Rot. Bonds6

About N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide

N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 122569564) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID122569564
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCCc1cc(CN2CC[C@]3(OC)CC[C@@H](NC(=O)c4nc[nH]c4C)C[C@H]23)[nH]n1
InChIInChI=1S/C20H30N6O2/c1-4-14-9-16(25-24-14)11-26-8-7-20(28-3)6-5-15(10-17(20)26)23-19(27)18-13(2)21-12-22-18/h9,12,15,17H,4-8,10-11H2,1-3H3,(H,21,22)(H,23,27)(H,24,25)/t15-,17+,20-/m1/s1
InChIKeyNLTHFNPXYXXWKY-OXFYSEKESA-N
XLogP1.95
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3aR,6S,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indole
CID 119074171
N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122560015
(3aR,6S,7aS)-3a-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indole
CID 119070726
N-[(3aR,6R,7aS)-3a-methoxy-1-(5-methyl-1H-imidazole-2-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]benzamide
CID 122561871
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
6-[[(3aR,6S,7aS)-6-(2-hydroxyethoxy)-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 118770629
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56863447
(3aR,6S,7aS)-1-[(2,4-diethoxy-3-methylphenyl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 119064553
(3aR,6R,7aS)-3a-methoxy-1-(pyridazin-3-ylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 119065530
2-[[(3aR,6R,7aS)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]acetic acid
CID 119070278
(3aR,6S,7aS)-3a-methoxy-1-[(3-methoxy-2-pyridinyl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 118791136

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide (CID 122569564) is N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide is CCc1cc(CN2CC[C@]3(OC)CC[C@@H](NC(=O)c4nc[nH]c4C)C[C@H]23)[nH]n1.
What is the InChIKey of N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is NLTHFNPXYXXWKY-OXFYSEKESA-N. The full InChI is InChI=1S/C20H30N6O2/c1-4-14-9-16(25-24-14)11-26-8-7-20(28-3)6-5-15(10-17(20)26)23-19(27)18-13(2)21-12-22-18/h9,12,15,17H,4-8,10-11H2,1-3H3,(H,21,22)(H,23,27)(H,24,25)/t15-,17+,20-/m1/s1.
What are the key properties of N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide?
N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6R,7aS)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 122569564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).