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

C17H23N5 — CID 97404939

IUPAC6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESc1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)ccn1
InChIInChI=1S/C17H23N5/c1-2-9-21(8-1)12-16-15-5-10-22(13-17(15)20-19-16)11-14-3-6-18-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20)
InChIKeyDLYYUBVTHJCREB-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.96
Rot. Bonds4

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

6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 97404939) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID97404939
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESc1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)ccn1
InChIInChI=1S/C17H23N5/c1-2-9-21(8-1)12-16-15-5-10-22(13-17(15)20-19-16)11-14-3-6-18-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20)
InChIKeyDLYYUBVTHJCREB-UHFFFAOYSA-N
XLogP1.96
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
CID 10293214
2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine
CID 10688035
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 97404939) is 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is c1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)ccn1.
What is the InChIKey of 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is DLYYUBVTHJCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-9-21(8-1)12-16-15-5-10-22(13-17(15)20-19-16)11-14-3-6-18-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20).
What are the key properties of 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 297.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97404939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).