2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

C22H25N5O — CID 171085585

IUPAC2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ncc(N4CCC5NCCCC54)nc3n2)c(O)c1
InChIInChI=1S/C22H25N5O/c1-13-10-14(2)21(19(28)11-13)16-5-6-17-22(25-16)26-20(12-24-17)27-9-7-15-18(27)4-3-8-23-15/h5-6,10-12,15,18,23,28H,3-4,7-9H2,1-2H3
InChIKeyYCFMQFKCGHWULY-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.34
Rot. Bonds2

About 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (PubChem CID 171085585) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
PubChem CID171085585
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ncc(N4CCC5NCCCC54)nc3n2)c(O)c1
InChIInChI=1S/C22H25N5O/c1-13-10-14(2)21(19(28)11-13)16-5-6-17-22(25-16)26-20(12-24-17)27-9-7-15-18(27)4-3-8-23-15/h5-6,10-12,15,18,23,28H,3-4,7-9H2,1-2H3
InChIKeyYCFMQFKCGHWULY-UHFFFAOYSA-N
XLogP3.34
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol with MolForge

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Related Compounds

2-[6-[(3aS,7aR)-6-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl]pyridazin-3-yl]-3,5-dimethylphenol
CID 178180931
2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085750
2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
CID 63254716
2-[5-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-1-methylimidazo[4,5-b]pyrazin-2-yl]-5-chloro-3-methylphenol
CID 170743472
3,5-dimethyl-2-[6-[[(2R)-piperidin-2-yl]methylamino]pyridazin-3-yl]phenol
CID 162198494
(4aS,7aS)-4-(2,4-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676031
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 140521192
4-methoxy-6-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 66318975
4-(2,5-dimethylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571301
(4aS,7aS)-4-(2,5-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676035
2-[8-(hydroxymethyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (CID 171085585) is 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2ccc3ncc(N4CCC5NCCCC54)nc3n2)c(O)c1.
What is the InChIKey of 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The InChIKey is YCFMQFKCGHWULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13-10-14(2)21(19(28)11-13)16-5-6-17-22(25-16)26-20(12-24-17)27-9-7-15-18(27)4-3-8-23-15/h5-6,10-12,15,18,23,28H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol has a molecular weight of 375.48 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is sourced from PubChem (CID 171085585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).