N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide

C24H22N8O3 — CID 70817593

IUPACN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cnc(N)nc21
InChIInChI=1S/C24H22N8O3/c1-24(2,13-33)32-12-19(18-11-29-23(26)31-22(18)32)21(35)15-5-17(10-27-9-15)30-20(34)6-16-4-3-14(7-25)8-28-16/h3-5,8-12,33H,6,13H2,1-2H3,(H,30,34)(H2,26,29,31)
InChIKeyXXSHLMIBHUIPCL-UHFFFAOYSA-N
MW470.49 g/mol
LogP1.81
Rot. Bonds7

About N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide (PubChem CID 70817593) has the molecular formula C24H22N8O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide
PubChem CID70817593
Molecular FormulaC24H22N8O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC NameN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cnc(N)nc21
InChIInChI=1S/C24H22N8O3/c1-24(2,13-33)32-12-19(18-11-29-23(26)31-22(18)32)21(35)15-5-17(10-27-9-15)30-20(34)6-16-4-3-14(7-25)8-28-16/h3-5,8-12,33H,6,13H2,1-2H3,(H,30,34)(H2,26,29,31)
InChIKeyXXSHLMIBHUIPCL-UHFFFAOYSA-N
XLogP1.81
TPSA172.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide?
The IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide (CID 70817593) is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide.
What is the SMILES notation for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide?
The canonical SMILES for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cnc(N)nc21.
What is the InChIKey of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide?
The InChIKey is XXSHLMIBHUIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O3/c1-24(2,13-33)32-12-19(18-11-29-23(26)31-22(18)32)21(35)15-5-17(10-27-9-15)30-20(34)6-16-4-3-14(7-25)8-28-16/h3-5,8-12,33H,6,13H2,1-2H3,(H,30,34)(H2,26,29,31).
What are the key properties of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide?
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide has a molecular weight of 470.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-cyano-2-pyridinyl)acetamide is sourced from PubChem (CID 70817593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).