N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide

C24H21N9O2 — CID 90683686

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(-c4ccccn4)nn3)c2)c2cncnc21
InChIInChI=1S/C24H21N9O2/c1-15(2)33-11-19(18-10-26-14-28-24(18)33)23(35)16-7-17(9-25-8-16)29-22(34)13-32-12-21(30-31-32)20-5-3-4-6-27-20/h3-12,14-15H,13H2,1-2H3,(H,29,34)
InChIKeyOLMQKTLSVCNNQE-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.93
Rot. Bonds7

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide (PubChem CID 90683686) has the molecular formula C24H21N9O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide
PubChem CID90683686
Molecular FormulaC24H21N9O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(-c4ccccn4)nn3)c2)c2cncnc21
InChIInChI=1S/C24H21N9O2/c1-15(2)33-11-19(18-10-26-14-28-24(18)33)23(35)16-7-17(9-25-8-16)29-22(34)13-32-12-21(30-31-32)20-5-3-4-6-27-20/h3-12,14-15H,13H2,1-2H3,(H,29,34)
InChIKeyOLMQKTLSVCNNQE-UHFFFAOYSA-N
XLogP2.93
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide (CID 90683686) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(-c4ccccn4)nn3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide?
The InChIKey is OLMQKTLSVCNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O2/c1-15(2)33-11-19(18-10-26-14-28-24(18)33)23(35)16-7-17(9-25-8-16)29-22(34)13-32-12-21(30-31-32)20-5-3-4-6-27-20/h3-12,14-15H,13H2,1-2H3,(H,29,34).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide has a molecular weight of 467.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-pyridin-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 90683686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).