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

C24H21N7O2S — CID 90683645

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(-c4cccs4)n3)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2S/c1-15(2)31-12-19(18-11-26-14-27-24(18)31)23(33)16-8-17(10-25-9-16)28-22(32)13-30-6-5-20(29-30)21-4-3-7-34-21/h3-12,14-15H,13H2,1-2H3,(H,28,32)
InChIKeyGWYFAPXRNWIZDU-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.20
Rot. Bonds7

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

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide (PubChem CID 90683645) has the molecular formula C24H21N7O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
PubChem CID90683645
Molecular FormulaC24H21N7O2S
Molecular Weight471.55 g/mol
Exact Mass471.15
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(-c4cccs4)n3)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2S/c1-15(2)31-12-19(18-11-26-14-27-24(18)31)23(33)16-8-17(10-25-9-16)28-22(32)13-30-6-5-20(29-30)21-4-3-7-34-21/h3-12,14-15H,13H2,1-2H3,(H,28,32)
InChIKeyGWYFAPXRNWIZDU-UHFFFAOYSA-N
XLogP4.20
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-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-(3-thiophen-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide (CID 90683645) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(-c4cccs4)n3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide?
The InChIKey is GWYFAPXRNWIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2S/c1-15(2)31-12-19(18-11-26-14-27-24(18)31)23(33)16-8-17(10-25-9-16)28-22(32)13-30-6-5-20(29-30)21-4-3-7-34-21/h3-12,14-15H,13H2,1-2H3,(H,28,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-thiophen-2-ylpyrazol-1-yl)acetamide has a molecular weight of 471.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(3-thiophen-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 90683645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).