cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H24N4O2 — CID 95979860

IUPACcis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(21-16-9-5-6-13-12-20-22-17(13)16)14-7-1-2-8-15(14)19(25)23-10-3-4-11-23/h5-6,9,12,14-15H,1-4,7-8,10-11H2,(H,20,22)(H,21,24)/t14-,15+/m0/s1
InChIKeyAVPRXEABXZWDIE-LSDHHAIUSA-N
MW340.43 g/mol
LogP2.93
Rot. Bonds3

About cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 95979860) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID95979860
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namecis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(21-16-9-5-6-13-12-20-22-17(13)16)14-7-1-2-8-15(14)19(25)23-10-3-4-11-23/h5-6,9,12,14-15H,1-4,7-8,10-11H2,(H,20,22)(H,21,24)/t14-,15+/m0/s1
InChIKeyAVPRXEABXZWDIE-LSDHHAIUSA-N
XLogP2.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indazol-7-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978246
trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
CID 34148096
(2R)-N-(1H-indazol-7-yl)pyrrolidine-2-carboxamide
CID 113263883
2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54868364
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
(2R)-N-(1H-indazol-7-yl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 96509806
N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982095
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325
(3R,4S)-N-(1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921147
N-(1H-indazol-7-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 34200797
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
N-(1H-indazol-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420816

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 95979860) is cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is AVPRXEABXZWDIE-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(21-16-9-5-6-13-12-20-22-17(13)16)14-7-1-2-8-15(14)19(25)23-10-3-4-11-23/h5-6,9,12,14-15H,1-4,7-8,10-11H2,(H,20,22)(H,21,24)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95979860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).