2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid

C14H16N4O2 — CID 82587653

IUPAC2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(Nc2ccccc2)c2c1CCNC2
InChIInChI=1S/C14H16N4O2/c19-13(20)9-18-12-6-7-15-8-11(12)14(17-18)16-10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,16,17)(H,19,20)
InChIKeyYOVKKCALQPXDQV-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid

2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid (PubChem CID 82587653) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid
PubChem CID82587653
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(Nc2ccccc2)c2c1CCNC2
InChIInChI=1S/C14H16N4O2/c19-13(20)9-18-12-6-7-15-8-11(12)14(17-18)16-10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,16,17)(H,19,20)
InChIKeyYOVKKCALQPXDQV-UHFFFAOYSA-N
XLogP1.36
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(1-phenylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetate
CID 82588073
3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
CID 82588897
3-methyl-N-phenyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-1-carboxamide
CID 72698833
1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 121365312
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
2-[4-(3-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetic acid
CID 110459050
3-[3-(2-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoic acid
CID 82588209
3-[3-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoic acid
CID 82588266
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587168

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid (CID 82587653) is 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid is O=C(O)Cn1nc(Nc2ccccc2)c2c1CCNC2.
What is the InChIKey of 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid?
The InChIKey is YOVKKCALQPXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(20)9-18-12-6-7-15-8-11(12)14(17-18)16-10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,16,17)(H,19,20).
What are the key properties of 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid?
2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid has a molecular weight of 272.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)acetic acid is sourced from PubChem (CID 82587653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).