cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H25N5O3 — CID 74507741

IUPACcyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H25N5O3/c1-29-16-9-7-14(8-10-16)20-25-21(30-26-20)19-11-17-18(24-13-23-17)12-27(19)22(28)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12H2,1H3,(H,23,24)
InChIKeyXNBPSULWICSAJN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.67
Rot. Bonds4

About cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 74507741) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID74507741
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namecyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H25N5O3/c1-29-16-9-7-14(8-10-16)20-25-21(30-26-20)19-11-17-18(24-13-23-17)12-27(19)22(28)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12H2,1H3,(H,23,24)
InChIKeyXNBPSULWICSAJN-UHFFFAOYSA-N
XLogP3.67
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
2-[2-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]sulfanylacetic acid
CID 74507752
(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745045
N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
cyclobutyl-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813039
2-(4-methoxyphenyl)-1-[(6S)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 26745101
2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
CID 38344332
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
(6S)-N-phenyl-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745091

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 74507741) is cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc(-c2noc(C3Cc4nc[nH]c4CN3C(=O)C3CCCCC3)n2)cc1.
What is the InChIKey of cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is XNBPSULWICSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-16-9-7-14(8-10-16)20-25-21(30-26-20)19-11-17-18(24-13-23-17)12-27(19)22(28)15-5-3-2-4-6-15/h7-10,13,15,19H,2-6,11-12H2,1H3,(H,23,24).
What are the key properties of cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 407.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 74507741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).