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

C24H23N5O3 — CID 70817581

IUPAC3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)C(CO)c3ccccc3)c2)c2cncnc21
InChIInChI=1S/C24H23N5O3/c1-15(2)29-12-20(19-11-26-14-27-23(19)29)22(31)17-8-18(10-25-9-17)28-24(32)21(13-30)16-6-4-3-5-7-16/h3-12,14-15,21,30H,13H2,1-2H3,(H,28,32)
InChIKeyAHPUHOSKSZCLGY-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.35
Rot. Bonds7

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

3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide (PubChem CID 70817581) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide
PubChem CID70817581
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)C(CO)c3ccccc3)c2)c2cncnc21
InChIInChI=1S/C24H23N5O3/c1-15(2)29-12-20(19-11-26-14-27-23(19)29)22(31)17-8-18(10-25-9-17)28-24(32)21(13-30)16-6-4-3-5-7-16/h3-12,14-15,21,30H,13H2,1-2H3,(H,28,32)
InChIKeyAHPUHOSKSZCLGY-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide?
The IUPAC name of 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide (CID 70817581) is 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)C(CO)c3ccccc3)c2)c2cncnc21.
What is the InChIKey of 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide?
The InChIKey is AHPUHOSKSZCLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(2)29-12-20(19-11-26-14-27-23(19)29)22(31)17-8-18(10-25-9-17)28-24(32)21(13-30)16-6-4-3-5-7-16/h3-12,14-15,21,30H,13H2,1-2H3,(H,28,32).
What are the key properties of 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide?
3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide has a molecular weight of 429.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 70817581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).