2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

C14H15N3O2 — CID 82591527

IUPAC2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C14H15N3O2/c18-14(19)8-10-4-3-5-12-11(10)9-16-17(12)13-6-1-2-7-15-13/h1-2,6-7,9-10H,3-5,8H2,(H,18,19)
InChIKeyPUFXVJVTBGXIJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds3

About 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 82591527) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID82591527
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C14H15N3O2/c18-14(19)8-10-4-3-5-12-11(10)9-16-17(12)13-6-1-2-7-15-13/h1-2,6-7,9-10H,3-5,8H2,(H,18,19)
InChIKeyPUFXVJVTBGXIJX-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591626
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
2-(5-methylpyrazol-1-yl)-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731383
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45183884
N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide
CID 95384795
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (CID 82591527) is 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is O=C(O)CC1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is PUFXVJVTBGXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)8-10-4-3-5-12-11(10)9-16-17(12)13-6-1-2-7-15-13/h1-2,6-7,9-10H,3-5,8H2,(H,18,19).
What are the key properties of 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 82591527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).