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

C23H24N8O2 — CID 90683764

IUPACN-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21
InChIInChI=1S/C23H24N8O2/c1-13(2)31-11-18(17-10-26-23(24)28-22(17)31)21(33)15-7-16(9-25-8-15)27-20(32)12-30-6-5-19(29-30)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,27,32)(H2,24,26,28)
InChIKeyYCLNSIOZHCMOPZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.93
Rot. Bonds7

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

N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide (PubChem CID 90683764) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide
PubChem CID90683764
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21
InChIInChI=1S/C23H24N8O2/c1-13(2)31-11-18(17-10-26-23(24)28-22(17)31)21(33)15-7-16(9-25-8-15)27-20(32)12-30-6-5-19(29-30)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,27,32)(H2,24,26,28)
InChIKeyYCLNSIOZHCMOPZ-UHFFFAOYSA-N
XLogP2.93
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-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-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide?
The IUPAC name of N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide (CID 90683764) is N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21.
What is the InChIKey of N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide?
The InChIKey is YCLNSIOZHCMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-13(2)31-11-18(17-10-26-23(24)28-22(17)31)21(33)15-7-16(9-25-8-15)27-20(32)12-30-6-5-19(29-30)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,27,32)(H2,24,26,28).
What are the key properties of N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide?
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide is sourced from PubChem (CID 90683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).