2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H23N5O3 — CID 70817787

IUPAC2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CO)c3)c2)c2cncnc21
InChIInChI=1S/C24H23N5O3/c1-15(2)29-12-21(20-11-26-14-27-24(20)29)23(32)18-8-19(10-25-9-18)28-22(31)7-16-4-3-5-17(6-16)13-30/h3-6,8-12,14-15,30H,7,13H2,1-2H3,(H,28,31)
InChIKeyZPHKKTUGWIVMPT-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.31
Rot. Bonds7

About 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 70817787) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID70817787
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CO)c3)c2)c2cncnc21
InChIInChI=1S/C24H23N5O3/c1-15(2)29-12-21(20-11-26-14-27-24(20)29)23(32)18-8-19(10-25-9-18)28-22(31)7-16-4-3-5-17(6-16)13-30/h3-6,8-12,14-15,30H,7,13H2,1-2H3,(H,28,31)
InChIKeyZPHKKTUGWIVMPT-UHFFFAOYSA-N
XLogP3.31
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]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 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 70817787) is 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CO)c3)c2)c2cncnc21.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is ZPHKKTUGWIVMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(2)29-12-21(20-11-26-14-27-24(20)29)23(32)18-8-19(10-25-9-18)28-22(31)7-16-4-3-5-17(6-16)13-30/h3-6,8-12,14-15,30H,7,13H2,1-2H3,(H,28,31).
What are the key properties of 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 70817787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).