3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H18N4O2 — CID 42290451

IUPAC3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1cc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)ccn1
InChIInChI=1S/C19H18N4O2/c1-2-17-18(25-12-24-17)9-14(1)19-15-11-23(8-5-16(15)21-22-19)10-13-3-6-20-7-4-13/h1-4,6-7,9H,5,8,10-12H2,(H,21,22)
InChIKeySHTDFIKJECOWLV-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.76
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 42290451) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID42290451
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1cc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)ccn1
InChIInChI=1S/C19H18N4O2/c1-2-17-18(25-12-24-17)9-14(1)19-15-11-23(8-5-16(15)21-22-19)10-13-3-6-20-7-4-13/h1-4,6-7,9H,5,8,10-12H2,(H,21,22)
InChIKeySHTDFIKJECOWLV-UHFFFAOYSA-N
XLogP2.76
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
5-{5-[(2S)-2-amino-3-(2H-1,3-benzodioxol-5-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732418
5-(6,7-Dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile
CID 44442329
1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812586
2-[3-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11558948
6,7-Dimethoxy-3-pyridin-3-yl-2,4-dihydro-indeno[1,2-c]pyrazole
CID 44443180
6,7-Dimethoxy-3-pyrazin-2-yl-2,4-dihydro-indeno[1,2-c]pyrazole
CID 44443188
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
CID 89684547
3-(1,3-benzodioxol-5-yl)-1-(2-methylbenzyl)-1H-pyrazole
CID 1481697
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808
2-{[3-(1,3-benzodioxol-5-yl)-1-benzyl-1H-pyrazol-4-yl]methyl}-1,2-oxazinane
CID 16189143
1-{[3-(1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-(methoxymethyl)piperidine
CID 16189818

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 42290451) is 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1cc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)ccn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is SHTDFIKJECOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-17-18(25-12-24-17)9-14(1)19-15-11-23(8-5-16(15)21-22-19)10-13-3-6-20-7-4-13/h1-4,6-7,9H,5,8,10-12H2,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 334.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 42290451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).