2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide

C24H27N7O3 — CID 121231297

IUPAC2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide
SMILESCn1nc(C(C)(C)C)nc1CC(=O)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1
InChIInChI=1S/C24H27N7O3/c1-24(2,3)23-28-20(30(4)29-23)12-21(33)27-19-11-15(5-8-26-19)22(34)17-14-31(9-10-32)18-6-7-25-13-16(17)18/h5-8,11,13-14,32H,9-10,12H2,1-4H3,(H,26,27,33)
InChIKeyQEENMCDZWBDPDG-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.26
Rot. Bonds7

About 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide

2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide (PubChem CID 121231297) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide
PubChem CID121231297
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide
SMILESCn1nc(C(C)(C)C)nc1CC(=O)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1
InChIInChI=1S/C24H27N7O3/c1-24(2,3)23-28-20(30(4)29-23)12-21(33)27-19-11-15(5-8-26-19)22(34)17-14-31(9-10-32)18-6-7-25-13-16(17)18/h5-8,11,13-14,32H,9-10,12H2,1-4H3,(H,26,27,33)
InChIKeyQEENMCDZWBDPDG-UHFFFAOYSA-N
XLogP2.26
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide (CID 121231297) is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide is Cn1nc(C(C)(C)C)nc1CC(=O)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1.
What is the InChIKey of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is QEENMCDZWBDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-24(2,3)23-28-20(30(4)29-23)12-21(33)27-19-11-15(5-8-26-19)22(34)17-14-31(9-10-32)18-6-7-25-13-16(17)18/h5-8,11,13-14,32H,9-10,12H2,1-4H3,(H,26,27,33).
What are the key properties of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide?
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 461.53 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121231297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).