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

C23H21N5O3 — CID 70817712

IUPAC2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)C(O)c3ccccc3)c2)c2cncnc21
InChIInChI=1S/C23H21N5O3/c1-14(2)28-12-19(18-11-25-13-26-22(18)28)20(29)16-8-17(10-24-9-16)27-23(31)21(30)15-6-4-3-5-7-15/h3-14,21,30H,1-2H3,(H,27,31)
InChIKeyQHFSDKSKWBOQEK-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.31
Rot. Bonds6

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

2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 70817712) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID70817712
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)C(O)c3ccccc3)c2)c2cncnc21
InChIInChI=1S/C23H21N5O3/c1-14(2)28-12-19(18-11-25-13-26-22(18)28)20(29)16-8-17(10-24-9-16)27-23(31)21(30)15-6-4-3-5-7-15/h3-14,21,30H,1-2H3,(H,27,31)
InChIKeyQHFSDKSKWBOQEK-UHFFFAOYSA-N
XLogP3.31
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 70817712) is 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-2-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)C(O)c3ccccc3)c2)c2cncnc21.
What is the InChIKey of 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is QHFSDKSKWBOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14(2)28-12-19(18-11-25-13-26-22(18)28)20(29)16-8-17(10-24-9-16)27-23(31)21(30)15-6-4-3-5-7-15/h3-14,21,30H,1-2H3,(H,27,31).
What are the key properties of 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 70817712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).