2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine

C22H19F3N6 — CID 166540965

IUPAC2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine
SMILESCc1nc2ncc(C3=CN(C)C=C4NCC=C43)nc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N6/c1-13-28-20-21(31(13)10-14-3-5-15(6-4-14)22(23,24)25)29-18(9-27-20)17-11-30(2)12-19-16(17)7-8-26-19/h3-7,9,11-12,26H,8,10H2,1-2H3
InChIKeyDPHUHEJWRDNCDQ-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.86
Rot. Bonds3

About 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine

2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine (PubChem CID 166540965) has the molecular formula C22H19F3N6 and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine
PubChem CID166540965
Molecular FormulaC22H19F3N6
Molecular Weight424.43 g/mol
Exact Mass424.16
IUPAC Name2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine
SMILESCc1nc2ncc(C3=CN(C)C=C4NCC=C43)nc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N6/c1-13-28-20-21(31(13)10-14-3-5-15(6-4-14)22(23,24)25)29-18(9-27-20)17-11-30(2)12-19-16(17)7-8-26-19/h3-7,9,11-12,26H,8,10H2,1-2H3
InChIKeyDPHUHEJWRDNCDQ-UHFFFAOYSA-N
XLogP3.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine (CID 166540965) is 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine is Cc1nc2ncc(C3=CN(C)C=C4NCC=C43)nc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine?
The InChIKey is DPHUHEJWRDNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6/c1-13-28-20-21(31(13)10-14-3-5-15(6-4-14)22(23,24)25)29-18(9-27-20)17-11-30(2)12-19-16(17)7-8-26-19/h3-7,9,11-12,26H,8,10H2,1-2H3.
What are the key properties of 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine?
2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine has a molecular weight of 424.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 166540965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).