4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine

C21H18N6O2 — CID 137039245

IUPAC4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine
SMILESC1=C(c2cc(-c3nc4c(-c5ccc6c(c5)OCO6)nccc4[nH]3)[nH]n2)CCNC1
InChIInChI=1S/C21H18N6O2/c1-2-17-18(29-11-28-17)9-13(1)19-20-14(5-8-23-19)24-21(25-20)16-10-15(26-27-16)12-3-6-22-7-4-12/h1-3,5,8-10,22H,4,6-7,11H2,(H,24,25)(H,26,27)
InChIKeyCKHSVVCYBMLKQX-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.12
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine

4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 137039245) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID137039245
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine
SMILESC1=C(c2cc(-c3nc4c(-c5ccc6c(c5)OCO6)nccc4[nH]3)[nH]n2)CCNC1
InChIInChI=1S/C21H18N6O2/c1-2-17-18(29-11-28-17)9-13(1)19-20-14(5-8-23-19)24-21(25-20)16-10-15(26-27-16)12-3-6-22-7-4-12/h1-3,5,8-10,22H,4,6-7,11H2,(H,24,25)(H,26,27)
InChIKeyCKHSVVCYBMLKQX-UHFFFAOYSA-N
XLogP3.12
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

4-pyridin-4-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936809
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
3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038963
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
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
4-[3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethyl-2H-azepin-6-amine
CID 145244811
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
1-[6-[3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137038983
4-(1,3-benzodioxol-5-yl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109092
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137040352
N-[5-[3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137038551
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

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine (CID 137039245) is 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine is C1=C(c2cc(-c3nc4c(-c5ccc6c(c5)OCO6)nccc4[nH]3)[nH]n2)CCNC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is CKHSVVCYBMLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-2-17-18(29-11-28-17)9-13(1)19-20-14(5-8-23-19)24-21(25-20)16-10-15(26-27-16)12-3-6-22-7-4-12/h1-3,5,8-10,22H,4,6-7,11H2,(H,24,25)(H,26,27).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine?
4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 386.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137039245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).