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

C25H33N7O2 — CID 138686523

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1nc2c(C(C)C)c(-c3cc(OC)c4ncnn4c3)[nH]c2cc1C
InChIInChI=1S/C25H33N7O2/c1-8-31(10-9-30(5)6)25(33)21-16(4)11-18-23(29-21)20(15(2)3)22(28-18)17-12-19(34-7)24-26-14-27-32(24)13-17/h11-15,28H,8-10H2,1-7H3
InChIKeyMAULDPIIJDWSKW-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.74
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 138686523) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID138686523
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1nc2c(C(C)C)c(-c3cc(OC)c4ncnn4c3)[nH]c2cc1C
InChIInChI=1S/C25H33N7O2/c1-8-31(10-9-30(5)6)25(33)21-16(4)11-18-23(29-21)20(15(2)3)22(28-18)17-12-19(34-7)24-26-14-27-32(24)13-17/h11-15,28H,8-10H2,1-7H3
InChIKeyMAULDPIIJDWSKW-UHFFFAOYSA-N
XLogP3.74
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 138686523) is N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is CCN(CCN(C)C)C(=O)c1nc2c(C(C)C)c(-c3cc(OC)c4ncnn4c3)[nH]c2cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is MAULDPIIJDWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-8-31(10-9-30(5)6)25(33)21-16(4)11-18-23(29-21)20(15(2)3)22(28-18)17-12-19(34-7)24-26-14-27-32(24)13-17/h11-15,28H,8-10H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 138686523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).