2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C25H24N8O2 — CID 90683663

IUPAC2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCCc1nc2cccnc2n1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C25H24N8O2/c1-4-21-31-20-6-5-7-28-25(20)33(21)13-22(34)30-17-8-16(9-26-10-17)23(35)19-12-32(15(2)3)24-18(19)11-27-14-29-24/h5-12,14-15H,4,13H2,1-3H3,(H,30,34)
InChIKeyDQONUZFGOATBPZ-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683663) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683663
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCCc1nc2cccnc2n1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C25H24N8O2/c1-4-21-31-20-6-5-7-28-25(20)33(21)13-22(34)30-17-8-16(9-26-10-17)23(35)19-12-32(15(2)3)24-18(19)11-27-14-29-24/h5-12,14-15H,4,13H2,1-3H3,(H,30,34)
InChIKeyDQONUZFGOATBPZ-UHFFFAOYSA-N
XLogP3.58
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683663) is 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CCc1nc2cccnc2n1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.
What is the InChIKey of 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is DQONUZFGOATBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-4-21-31-20-6-5-7-28-25(20)33(21)13-22(34)30-17-8-16(9-26-10-17)23(35)19-12-32(15(2)3)24-18(19)11-27-14-29-24/h5-12,14-15H,4,13H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 468.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).