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

C24H21N7 — CID 137308932

IUPAC3-[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
SMILESCc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1
InChIInChI=1S/C24H21N7/c1-14-3-2-4-16(13-14)20-21-18(9-12-26-20)28-24(29-21)23-22-19(30-31-23)6-5-17(27-22)15-7-10-25-11-8-15/h2-7,9,12-13,25H,8,10-11H2,1H3,(H,28,29)(H,30,31)
InChIKeyHLOOBNPCVBSOQM-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.25
Rot. Bonds3

About 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

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 (PubChem CID 137308932) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID137308932
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC Name3-[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
SMILESCc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1
InChIInChI=1S/C24H21N7/c1-14-3-2-4-16(13-14)20-21-18(9-12-26-20)28-24(29-21)23-22-19(30-31-23)6-5-17(27-22)15-7-10-25-11-8-15/h2-7,9,12-13,25H,8,10-11H2,1H3,(H,28,29)(H,30,31)
InChIKeyHLOOBNPCVBSOQM-UHFFFAOYSA-N
XLogP4.25
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6=CCNCC6)nc45)nc23)c1.
What is the InChIKey of 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?
The InChIKey is HLOOBNPCVBSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7/c1-14-3-2-4-16(13-14)20-21-18(9-12-26-20)28-24(29-21)23-22-19(30-31-23)6-5-17(27-22)15-7-10-25-11-8-15/h2-7,9,12-13,25H,8,10-11H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 407.48 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137308932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).