7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide

C21H21N5O2 — CID 172628369

IUPAC7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
SMILESCOC1CCC(NC(=O)c2nc(-n3ccnc3)cc3ccc(C#N)cc23)CC1
InChIInChI=1S/C21H21N5O2/c1-28-17-6-4-16(5-7-17)24-21(27)20-18-10-14(12-22)2-3-15(18)11-19(25-20)26-9-8-23-13-26/h2-3,8-11,13,16-17H,4-7H2,1H3,(H,24,27)
InChIKeyDMROTTCTGVLREG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds4

About 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide

7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide (PubChem CID 172628369) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
PubChem CID172628369
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide
SMILESCOC1CCC(NC(=O)c2nc(-n3ccnc3)cc3ccc(C#N)cc23)CC1
InChIInChI=1S/C21H21N5O2/c1-28-17-6-4-16(5-7-17)24-21(27)20-18-10-14(12-22)2-3-15(18)11-19(25-20)26-9-8-23-13-26/h2-3,8-11,13,16-17H,4-7H2,1H3,(H,24,27)
InChIKeyDMROTTCTGVLREG-UHFFFAOYSA-N
XLogP2.98
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide
CID 171474975
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
5-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]thieno[3,2-b]pyridine-7-carboxamide
CID 155598604
3-[(2S)-2-hydroxypyrrolidin-1-yl]-5-imidazol-1-yl-N-(4-methoxycyclohexyl)benzamide
CID 171566244
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786248
3-chloro-4-[(4-methoxycyclohexyl)amino]benzonitrile
CID 107807193
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-7-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155598624

Frequently Asked Questions

What is the IUPAC name of 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide?
The IUPAC name of 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide (CID 172628369) is 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide.
What is the SMILES notation for 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide?
The canonical SMILES for 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide is COC1CCC(NC(=O)c2nc(-n3ccnc3)cc3ccc(C#N)cc23)CC1.
What is the InChIKey of 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide?
The InChIKey is DMROTTCTGVLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-17-6-4-16(5-7-17)24-21(27)20-18-10-14(12-22)2-3-15(18)11-19(25-20)26-9-8-23-13-26/h2-3,8-11,13,16-17H,4-7H2,1H3,(H,24,27).
What are the key properties of 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide?
7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-3-imidazol-1-yl-N-(4-methoxycyclohexyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 172628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).