4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C14H16N4O2 — CID 82592437

IUPAC4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESNC1CCCc2c1c(C(=O)O)nn2Cc1ccncc1
InChIInChI=1S/C14H16N4O2/c15-10-2-1-3-11-12(10)13(14(19)20)17-18(11)8-9-4-6-16-7-5-9/h4-7,10H,1-3,8,15H2,(H,19,20)
InChIKeyYUELUHDLNYJLQK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.36
Rot. Bonds3

About 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 82592437) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID82592437
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESNC1CCCc2c1c(C(=O)O)nn2Cc1ccncc1
InChIInChI=1S/C14H16N4O2/c15-10-2-1-3-11-12(10)13(14(19)20)17-18(11)8-9-4-6-16-7-5-9/h4-7,10H,1-3,8,15H2,(H,19,20)
InChIKeyYUELUHDLNYJLQK-UHFFFAOYSA-N
XLogP1.36
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 82592356
2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592886
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
3-oxo-6-(pyridin-4-ylmethyl)-1,2,4,5-tetrahydropyrazolo[3,4-e]indazole-8-carboxylic acid
CID 110458484
3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82592413
2-(1-benzyl-3-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591381
2-[1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591421
3-[(4-fluorophenyl)methyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid
CID 67029837
3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
CID 82592268
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 82592437) is 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is NC1CCCc2c1c(C(=O)O)nn2Cc1ccncc1.
What is the InChIKey of 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is YUELUHDLNYJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-10-2-1-3-11-12(10)13(14(19)20)17-18(11)8-9-4-6-16-7-5-9/h4-7,10H,1-3,8,15H2,(H,19,20).
What are the key properties of 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 82592437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).