4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C28H24N6O3 — CID 134164205

IUPAC4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2c(C#Cc3cnc4ccoc4c3)n(C3(C)CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C28H24N6O3/c1-28(10-11-28)34-21(8-5-18-13-22-20(30-14-18)9-12-37-22)23(24-25(29)31-16-32-26(24)34)27(35)33-19-6-3-17(4-7-19)15-36-2/h3-4,6-7,9,12-14,16H,10-11,15H2,1-2H3,(H,33,35)(H2,29,31,32)
InChIKeyBLTABCUZOWUPPW-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.46
Rot. Bonds5

About 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 134164205) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID134164205
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCOCc1ccc(NC(=O)c2c(C#Cc3cnc4ccoc4c3)n(C3(C)CC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C28H24N6O3/c1-28(10-11-28)34-21(8-5-18-13-22-20(30-14-18)9-12-37-22)23(24-25(29)31-16-32-26(24)34)27(35)33-19-6-3-17(4-7-19)15-36-2/h3-4,6-7,9,12-14,16H,10-11,15H2,1-2H3,(H,33,35)(H2,29,31,32)
InChIKeyBLTABCUZOWUPPW-UHFFFAOYSA-N
XLogP4.46
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

YM-201636
CID 9956222
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
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5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
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CID 9904688
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)-2,3-dihydro-1h-inden-1-one
CID 16045087
4-Morpholin-4-yl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
CID 44426432
4-Morpholin-4-yl-2-phenyl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
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N-benzyl-6-(furan-2-yl)-2-methylpurine-9-carboxamide
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N-benzyl-2-(dimethylamino)-6-(furan-2-yl)purine-9-carboxamide
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4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]furo[3,2-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 134164205) is 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is COCc1ccc(NC(=O)c2c(C#Cc3cnc4ccoc4c3)n(C3(C)CC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BLTABCUZOWUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-28(10-11-28)34-21(8-5-18-13-22-20(30-14-18)9-12-37-22)23(24-25(29)31-16-32-26(24)34)27(35)33-19-6-3-17(4-7-19)15-36-2/h3-4,6-7,9,12-14,16H,10-11,15H2,1-2H3,(H,33,35)(H2,29,31,32).
What are the key properties of 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-furo[3,2-b]pyridin-6-ylethynyl)-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134164205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).