N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

C24H20FN7O2 — CID 70817744

IUPACN-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESNc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(F)cn4)c3)cn(C34CC(C3)C4)c2n1
InChIInChI=1S/C24H20FN7O2/c25-15-1-2-16(28-9-15)4-20(33)30-17-3-14(8-27-10-17)21(34)19-12-32(24-5-13(6-24)7-24)22-18(19)11-29-23(26)31-22/h1-3,8-13H,4-7H2,(H,30,33)(H2,26,29,31)
InChIKeyWYQVJZQOPFRCCH-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.86
Rot. Bonds6

About N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide

N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 70817744) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
PubChem CID70817744
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC NameN-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide
SMILESNc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(F)cn4)c3)cn(C34CC(C3)C4)c2n1
InChIInChI=1S/C24H20FN7O2/c25-15-1-2-16(28-9-15)4-20(33)30-17-3-14(8-27-10-17)21(34)19-12-32(24-5-13(6-24)7-24)22-18(19)11-29-23(26)31-22/h1-3,8-13H,4-7H2,(H,30,33)(H2,26,29,31)
InChIKeyWYQVJZQOPFRCCH-UHFFFAOYSA-N
XLogP2.86
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide (CID 70817744) is N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is Nc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(F)cn4)c3)cn(C34CC(C3)C4)c2n1.
What is the InChIKey of N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is WYQVJZQOPFRCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c25-15-1-2-16(28-9-15)4-20(33)30-17-3-14(8-27-10-17)21(34)19-12-32(24-5-13(6-24)7-24)22-18(19)11-29-23(26)31-22/h1-3,8-13H,4-7H2,(H,30,33)(H2,26,29,31).
What are the key properties of N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide?
N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-7-(1-bicyclo[1.1.1]pentanyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 70817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).