2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C21H17N7S — CID 136937569

IUPAC2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2cc3c(-c4nc5nccc(-c6cccs6)c5[nH]4)n[nH]c3cn2)CCNC1
InChIInChI=1S/C21H17N7S/c1-2-17(29-9-1)13-5-8-23-20-18(13)25-21(26-20)19-14-10-15(12-3-6-22-7-4-12)24-11-16(14)27-28-19/h1-3,5,8-11,22H,4,6-7H2,(H,27,28)(H,23,25,26)
InChIKeyDLZNLJIHNMPVQQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.00
Rot. Bonds3

About 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 136937569) has the molecular formula C21H17N7S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID136937569
Molecular FormulaC21H17N7S
Molecular Weight399.48 g/mol
Exact Mass399.13
IUPAC Name2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESC1=C(c2cc3c(-c4nc5nccc(-c6cccs6)c5[nH]4)n[nH]c3cn2)CCNC1
InChIInChI=1S/C21H17N7S/c1-2-17(29-9-1)13-5-8-23-20-18(13)25-21(26-20)19-14-10-15(12-3-6-22-7-4-12)24-11-16(14)27-28-19/h1-3,5,8-11,22H,4,6-7H2,(H,27,28)(H,23,25,26)
InChIKeyDLZNLJIHNMPVQQ-UHFFFAOYSA-N
XLogP4.00
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137174308
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
2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 136937565
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936930
N,N-dimethyl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137014603
3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136943076
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137042610
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944220
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136943152
2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137042503
2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438
2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137042191

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 136937569) is 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is C1=C(c2cc3c(-c4nc5nccc(-c6cccs6)c5[nH]4)n[nH]c3cn2)CCNC1.
What is the InChIKey of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is DLZNLJIHNMPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7S/c1-2-17(29-9-1)13-5-8-23-20-18(13)25-21(26-20)19-14-10-15(12-3-6-22-7-4-12)24-11-16(14)27-28-19/h1-3,5,8-11,22H,4,6-7H2,(H,27,28)(H,23,25,26).
What are the key properties of 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 399.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).