2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C25H23N7O3 — CID 90683654

IUPAC2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1
InChIInChI=1S/C25H23N7O3/c1-15(2)32-12-19(18-11-27-14-28-25(18)32)24(34)16-8-17(10-26-9-16)29-22(33)13-31-7-6-20-21(31)4-5-23(30-20)35-3/h4-12,14-15H,13H2,1-3H3,(H,29,33)
InChIKeyBZSZXYXCULRPQK-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.64
Rot. Bonds7

About 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683654) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683654
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1
InChIInChI=1S/C25H23N7O3/c1-15(2)32-12-19(18-11-27-14-28-25(18)32)24(34)16-8-17(10-26-9-16)29-22(33)13-31-7-6-20-21(31)4-5-23(30-20)35-3/h4-12,14-15H,13H2,1-3H3,(H,29,33)
InChIKeyBZSZXYXCULRPQK-UHFFFAOYSA-N
XLogP3.64
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683654) is 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is COc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1.
What is the InChIKey of 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is BZSZXYXCULRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-15(2)32-12-19(18-11-27-14-28-25(18)32)24(34)16-8-17(10-26-9-16)29-22(33)13-31-7-6-20-21(31)4-5-23(30-20)35-3/h4-12,14-15H,13H2,1-3H3,(H,29,33).
What are the key properties of 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).