N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C28H23N7S — CID 137088729

IUPACN-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C28H23N7S/c1-16(17-4-2-5-17)32-20-10-18(13-29-15-20)19-11-22-26(34-35-28(22)31-14-19)24-12-21-23(33-24)7-8-30-27(21)25-6-3-9-36-25/h3,6-15,17,32-33H,1-2,4-5H2,(H,31,34,35)
InChIKeyOJTDOALDLAXBDD-UHFFFAOYSA-N
MW489.61 g/mol
LogP7.02
Rot. Bonds6

About N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137088729) has the molecular formula C28H23N7S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
PubChem CID137088729
Molecular FormulaC28H23N7S
Molecular Weight489.61 g/mol
Exact Mass489.17
IUPAC NameN-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C28H23N7S/c1-16(17-4-2-5-17)32-20-10-18(13-29-15-20)19-11-22-26(34-35-28(22)31-14-19)24-12-21-23(33-24)7-8-30-27(21)25-6-3-9-36-25/h3,6-15,17,32-33H,1-2,4-5H2,(H,31,34,35)
InChIKeyOJTDOALDLAXBDD-UHFFFAOYSA-N
XLogP7.02
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 57.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine with MolForge

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Related Compounds

N-(1-cyclohexylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248373
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137102715
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088816
N-(1-cyclopentylethenyl)-5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137088538
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248554
N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248413
N-(1-phenylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 145248287
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 137103087
2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137040262
5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145299
cyclohexyl-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137284340

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 137088729) is N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccs6)nccc5[nH]4)c3c2)c1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is OJTDOALDLAXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7S/c1-16(17-4-2-5-17)32-20-10-18(13-29-15-20)19-11-22-26(34-35-28(22)31-14-19)24-12-21-23(33-24)7-8-30-27(21)25-6-3-9-36-25/h3,6-15,17,32-33H,1-2,4-5H2,(H,31,34,35).
What are the key properties of N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?
N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 489.61 g/mol, XLogP of 7.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethenyl)-5-[3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137088729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).