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

C23H25N7 — CID 137109207

IUPAC3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3n2)CCNC1
InChIInChI=1S/C23H25N7/c1-2-13-30(14-3-1)19-6-4-5-17-20(19)27-23(26-17)22-21-18(28-29-22)8-7-16(25-21)15-9-11-24-12-10-15/h4-9,24H,1-3,10-14H2,(H,26,27)(H,28,29)
InChIKeyGJQMYNYWZBTHOF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.87
Rot. Bonds3

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

3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109207) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109207
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESC1=C(c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3n2)CCNC1
InChIInChI=1S/C23H25N7/c1-2-13-30(14-3-1)19-6-4-5-17-20(19)27-23(26-17)22-21-18(28-29-22)8-7-16(25-21)15-9-11-24-12-10-15/h4-9,24H,1-3,10-14H2,(H,26,27)(H,28,29)
InChIKeyGJQMYNYWZBTHOF-UHFFFAOYSA-N
XLogP3.87
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110468
3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137312297
3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145249460
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137308932
5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424507
3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109942
N-[[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137109328
2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 139424477
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
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115043
7-piperidin-1-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938051
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109131

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137109207) is 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine is C1=C(c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3n2)CCNC1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is GJQMYNYWZBTHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-2-13-30(14-3-1)19-6-4-5-17-20(19)27-23(26-17)22-21-18(28-29-22)8-7-16(25-21)15-9-11-24-12-10-15/h4-9,24H,1-3,10-14H2,(H,26,27)(H,28,29).
What are the key properties of 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).