4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

C26H25N7O2 — CID 172813750

IUPAC4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(N)c3c(C4(C)CC4)c(C#Cc4cccc(N)n4)[nH]c3n2)cc1
InChIInChI=1S/C26H25N7O2/c1-26(12-13-26)21-18(11-10-16-4-3-5-19(27)29-16)31-23-20(21)22(28)32-24(33-23)25(34)30-17-8-6-15(7-9-17)14-35-2/h3-9H,12-14H2,1-2H3,(H2,27,29)(H,30,34)(H3,28,31,32,33)
InChIKeySNPMMQHABHMRNZ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.37
Rot. Bonds5

About 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 172813750) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID172813750
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(N)c3c(C4(C)CC4)c(C#Cc4cccc(N)n4)[nH]c3n2)cc1
InChIInChI=1S/C26H25N7O2/c1-26(12-13-26)21-18(11-10-16-4-3-5-19(27)29-16)31-23-20(21)22(28)32-24(33-23)25(34)30-17-8-6-15(7-9-17)14-35-2/h3-9H,12-14H2,1-2H3,(H2,27,29)(H,30,34)(H3,28,31,32,33)
InChIKeySNPMMQHABHMRNZ-UHFFFAOYSA-N
XLogP3.37
TPSA144.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-(2-imidazo[1,2-b]pyridazin-2-ylethynyl)-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172695000
4-amino-5-cyano-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172849693
4-amino-6-(3-hydroxyprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164154
4-amino-6-(3-cyclohexylprop-1-ynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164230
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
4-amino-N-[[4-(methoxymethyl)phenyl]methyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172786785
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
4-amino-5-tert-butyl-N-[4-(methoxymethyl)phenyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172817637
4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-[2-(oxan-4-yl)ethynyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164133
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methoxymethyl)benzamide
CID 30900594
4-amino-5-(2-cyclopropylpropan-2-yl)-N-[3-fluoro-2-(methoxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172793158
4-amino-7-tert-butyl-N-[4-(methoxymethyl)phenyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 134164059

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 172813750) is 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is COCc1ccc(NC(=O)c2nc(N)c3c(C4(C)CC4)c(C#Cc4cccc(N)n4)[nH]c3n2)cc1.
What is the InChIKey of 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is SNPMMQHABHMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-26(12-13-26)21-18(11-10-16-4-3-5-19(27)29-16)31-23-20(21)22(28)32-24(33-23)25(34)30-17-8-6-15(7-9-17)14-35-2/h3-9H,12-14H2,1-2H3,(H2,27,29)(H,30,34)(H3,28,31,32,33).
What are the key properties of 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(6-amino-2-pyridinyl)ethynyl]-N-[4-(methoxymethyl)phenyl]-5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 172813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).