12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

C22H24ClN5O — CID 142796190

IUPAC12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCN1Cc2cc(Cl)cnc2-c2c(C3CCC(Oc4ccccn4)CC3)n[nH]c2C1
InChIInChI=1S/C22H24ClN5O/c1-28-12-15-10-16(23)11-25-21(15)20-18(13-28)26-27-22(20)14-5-7-17(8-6-14)29-19-4-2-3-9-24-19/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,26,27)
InChIKeyDFRNIDNQGQKEQH-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.57
Rot. Bonds3

About 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (PubChem CID 142796190) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
PubChem CID142796190
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCN1Cc2cc(Cl)cnc2-c2c(C3CCC(Oc4ccccn4)CC3)n[nH]c2C1
InChIInChI=1S/C22H24ClN5O/c1-28-12-15-10-16(23)11-25-21(15)20-18(13-28)26-27-22(20)14-5-7-17(8-6-14)29-19-4-2-3-9-24-19/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,26,27)
InChIKeyDFRNIDNQGQKEQH-UHFFFAOYSA-N
XLogP4.57
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene with MolForge

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Related Compounds

12-chloro-8-methyl-3-(4-pyridazin-3-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
CID 142796170
tert-butyl 12-chloro-3-[4-(4-fluorophenoxy)cyclohexyl]-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-8-carboxylate
CID 142796189
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexyl]oxypyridine
CID 175881426
tert-butyl 12-chloro-3-[4-(6-methylpyrazin-2-yl)cyclohexyl]-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-8-carboxylate
CID 142791252
2-[4-[4-(4-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-yl]cyclohexyl]oxypyridine
CID 162681091
(5S)-8-chloro-N-methyl-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-amine
CID 154638708
ethane;2-piperidin-4-yloxypyridine
CID 142889945
N-[(5S)-8-chloro-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl]-1-methylpiperidine-4-carboxamide
CID 154638728
N-[(5S)-8-chloro-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl]acetamide
CID 154638676
N-[8-chloro-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl]acetamide
CID 154638739
(5S)-8-chloro-N-(2,2-dimethylpropyl)-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-amine
CID 154638656
3-[8-chloro-1-(4-pyridin-2-yloxycyclohexyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-5-yl]-1,1-dimethylurea
CID 154638701

Frequently Asked Questions

What is the IUPAC name of 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The IUPAC name of 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (CID 142796190) is 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.
What is the SMILES notation for 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The canonical SMILES for 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is CN1Cc2cc(Cl)cnc2-c2c(C3CCC(Oc4ccccn4)CC3)n[nH]c2C1.
What is the InChIKey of 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The InChIKey is DFRNIDNQGQKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-28-12-15-10-16(23)11-25-21(15)20-18(13-28)26-27-22(20)14-5-7-17(8-6-14)29-19-4-2-3-9-24-19/h2-4,9-11,14,17H,5-8,12-13H2,1H3,(H,26,27).
What are the key properties of 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene has a molecular weight of 409.92 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-8-methyl-3-(4-pyridin-2-yloxycyclohexyl)-4,5,8,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is sourced from PubChem (CID 142796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).