5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

C28H26Cl2N4O — CID 175830029

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCn1ccc2cnc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cc21
InChIInChI=1S/C28H26Cl2N4O/c1-33-10-7-18-16-31-23(13-22(18)33)34-11-8-28(9-12-34)14-19(15-28)24-26(32-35-27(24)17-5-6-17)25-20(29)3-2-4-21(25)30/h2-4,7,10,13-14,16-17H,5-6,8-9,11-12,15H2,1H3
InChIKeyHSJPARVNDCGHDY-UHFFFAOYSA-N
MW505.45 g/mol
LogP7.49
Rot. Bonds4

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (PubChem CID 175830029) has the molecular formula C28H26Cl2N4O and a molecular weight of 505.45 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
PubChem CID175830029
Molecular FormulaC28H26Cl2N4O
Molecular Weight505.45 g/mol
Exact Mass504.15
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCn1ccc2cnc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cc21
InChIInChI=1S/C28H26Cl2N4O/c1-33-10-7-18-16-31-23(13-22(18)33)34-11-8-28(9-12-34)14-19(15-28)24-26(32-35-27(24)17-5-6-17)25-20(29)3-2-4-21(25)30/h2-4,7,10,13-14,16-17H,5-6,8-9,11-12,15H2,1H3
InChIKeyHSJPARVNDCGHDY-UHFFFAOYSA-N
XLogP7.49
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole with MolForge

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Related Compounds

6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methylpyridine-3-carboxylic acid
CID 138592211
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-5-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830041
2-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
CID 138592275
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-3-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 138591792
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582553
4-[7-(6-bromoquinoxalin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole
CID 167172445
4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
CID 175830066
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-[7-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582527

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (CID 175830029) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is Cn1ccc2cnc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)cc21.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The InChIKey is HSJPARVNDCGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O/c1-33-10-7-18-16-31-23(13-22(18)33)34-11-8-28(9-12-34)14-19(15-28)24-26(32-35-27(24)17-5-6-17)25-20(29)3-2-4-21(25)30/h2-4,7,10,13-14,16-17H,5-6,8-9,11-12,15H2,1H3.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole has a molecular weight of 505.45 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is sourced from PubChem (CID 175830029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).