6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline

C30H30ClN7S — CID 167307497

IUPAC6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline
SMILESC=C1c2c(ccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)N=CN1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C30H30ClN7S/c1-20-28-23(34-19-38(20)18-25-35-21-6-2-3-7-22(21)36-25)8-9-24(29(28)31)39-27-17-32-26(16-33-27)37-14-12-30(13-15-37)10-4-5-11-30/h2-3,6-9,16-17,19H,1,4-5,10-15,18H2,(H,35,36)
InChIKeyXZNAIUCKUOMVJO-UHFFFAOYSA-N
MW556.14 g/mol
LogP7.46
Rot. Bonds5

About 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline

6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline (PubChem CID 167307497) has the molecular formula C30H30ClN7S and a molecular weight of 556.14 g/mol. Its IUPAC name is 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline.

Molecular Properties

Compound Name6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline
PubChem CID167307497
Molecular FormulaC30H30ClN7S
Molecular Weight556.14 g/mol
Exact Mass555.20
IUPAC Name6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline
SMILESC=C1c2c(ccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)N=CN1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C30H30ClN7S/c1-20-28-23(34-19-38(20)18-25-35-21-6-2-3-7-22(21)36-25)8-9-24(29(28)31)39-27-17-32-26(16-33-27)37-14-12-30(13-15-37)10-4-5-11-30/h2-3,6-9,16-17,19H,1,4-5,10-15,18H2,(H,35,36)
InChIKeyXZNAIUCKUOMVJO-UHFFFAOYSA-N
XLogP7.46
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.14
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[5-[[4-chloro-2-(pyrazin-2-ylmethyl)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307551
2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
CID 166932744
8-[5-[[4-chloro-2-(oxolan-3-yloxy)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307783
N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide
CID 166932794
(3S)-8-[5-[(2-benzyl-4-chloro-1H-benzimidazol-5-yl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 174367824
3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chloro-N-[1-(2-methyl-4-methylidenepyrido[1,2-a]pyrimidin-3-yl)ethenyl]aniline
CID 166932745
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
1'-[5-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
CID 166781280
[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
CID 145210172
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
CID 122244910
2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 171678769
2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
CID 175651550

Frequently Asked Questions

What is the IUPAC name of 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline?
The IUPAC name of 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline (CID 167307497) is 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline.
What is the SMILES notation for 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline?
The canonical SMILES for 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline is C=C1c2c(ccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)N=CN1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline?
The InChIKey is XZNAIUCKUOMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7S/c1-20-28-23(34-19-38(20)18-25-35-21-6-2-3-7-22(21)36-25)8-9-24(29(28)31)39-27-17-32-26(16-33-27)37-14-12-30(13-15-37)10-4-5-11-30/h2-3,6-9,16-17,19H,1,4-5,10-15,18H2,(H,35,36).
What are the key properties of 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline?
6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline has a molecular weight of 556.14 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline is sourced from PubChem (CID 167307497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).