3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine

C18H16N6 — CID 137041218

IUPAC3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4cc5ncccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C18H16N6/c1-2-14-15(20-5-1)9-16(22-14)17-13-8-12(10-21-18(13)24-23-17)11-3-6-19-7-4-11/h1-3,5,8-10,19,22H,4,6-7H2,(H,21,23,24)
InChIKeyXVBJKSPYCNRNNC-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.88
Rot. Bonds2

About 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041218) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137041218
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4cc5ncccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C18H16N6/c1-2-14-15(20-5-1)9-16(22-14)17-13-8-12(10-21-18(13)24-23-17)11-3-6-19-7-4-11/h1-3,5,8-10,19,22H,4,6-7H2,(H,21,23,24)
InChIKeyXVBJKSPYCNRNNC-UHFFFAOYSA-N
XLogP2.88
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041341
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041146
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
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
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137281467
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
CID 137087622
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137145270
3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114424
1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137087619
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056954

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137041218) is 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is C1=C(c2cnc3n[nH]c(-c4cc5ncccc5[nH]4)c3c2)CCNC1.
What is the InChIKey of 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is XVBJKSPYCNRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-14-15(20-5-1)9-16(22-14)17-13-8-12(10-21-18(13)24-23-17)11-3-6-19-7-4-11/h1-3,5,8-10,19,22H,4,6-7H2,(H,21,23,24).
What are the key properties of 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 316.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).