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

C19H20N4O — CID 29259331

IUPAC3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(Cc2cccnc2)CC3)c1
InChIInChI=1S/C19H20N4O/c1-24-16-6-2-5-15(10-16)19-17-13-23(9-7-18(17)21-22-19)12-14-4-3-8-20-11-14/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22)
InChIKeyIRQJQVODAQFABS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.04
Rot. Bonds4

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

3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 29259331) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID29259331
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(-c2n[nH]c3c2CN(Cc2cccnc2)CC3)c1
InChIInChI=1S/C19H20N4O/c1-24-16-6-2-5-15(10-16)19-17-13-23(9-7-18(17)21-22-19)12-14-4-3-8-20-11-14/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22)
InChIKeyIRQJQVODAQFABS-UHFFFAOYSA-N
XLogP3.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
3-(3-methoxyphenyl)-5-(3-pyrazol-1-ylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42194500
5-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 25278288
2-[(3-methoxyphenyl)methyl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53358504
3-(3-phenylmethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536007
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
2-(3-methoxyphenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 56942656
12-benzyl-4-(3-methoxyphenyl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 18955582
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45242211

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 29259331) is 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1cccc(-c2n[nH]c3c2CN(Cc2cccnc2)CC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IRQJQVODAQFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-16-6-2-5-15(10-16)19-17-13-23(9-7-18(17)21-22-19)12-14-4-3-8-20-11-14/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,21,22).
What are the key properties of 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 320.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 29259331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).