2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C23H25F3N6O2 — CID 138686263

IUPAC2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCC(F)(F)F)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H25F3N6O2/c1-12(2)17-19(14-9-16(34-5)21-27-11-28-32(21)10-14)29-15-8-13(3)18(30-20(15)17)22(33)31(4)7-6-23(24,25)26/h8-12,29H,6-7H2,1-5H3
InChIKeyFTVGZDLGOTUEEZ-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.74
Rot. Bonds6

About 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 138686263) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID138686263
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCC(F)(F)F)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H25F3N6O2/c1-12(2)17-19(14-9-16(34-5)21-27-11-28-32(21)10-14)29-15-8-13(3)18(30-20(15)17)22(33)31(4)7-6-23(24,25)26/h8-12,29H,6-7H2,1-5H3
InChIKeyFTVGZDLGOTUEEZ-UHFFFAOYSA-N
XLogP4.74
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 138686263) is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is COc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCC(F)(F)F)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is FTVGZDLGOTUEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-12(2)17-19(14-9-16(34-5)21-27-11-28-32(21)10-14)29-15-8-13(3)18(30-20(15)17)22(33)31(4)7-6-23(24,25)26/h8-12,29H,6-7H2,1-5H3.
What are the key properties of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 138686263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).