5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid

C15H14N4O3 — CID 154803065

IUPAC5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1cccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)n1
InChIInChI=1S/C15H14N4O3/c1-22-13-4-2-3-10(17-13)8-16-9-5-6-12-11(7-9)14(15(20)21)19-18-12/h2-7,16H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUCQBGTRLSDZSKC-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.28
Rot. Bonds5

About 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid

5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid (PubChem CID 154803065) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid
PubChem CID154803065
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1cccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)n1
InChIInChI=1S/C15H14N4O3/c1-22-13-4-2-3-10(17-13)8-16-9-5-6-12-11(7-9)14(15(20)21)19-18-12/h2-7,16H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUCQBGTRLSDZSKC-UHFFFAOYSA-N
XLogP2.28
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
CID 167800698
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid
CID 154803106
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
5-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]-1H-indazole-3-carboxylic acid
CID 168562118
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
N-[3-[(6-methoxy-2-pyridinyl)methylamino]phenyl]furan-3-carboxamide
CID 99833568
5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 154793828

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid (CID 154803065) is 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid is COc1cccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)n1.
What is the InChIKey of 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid?
The InChIKey is UCQBGTRLSDZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-22-13-4-2-3-10(17-13)8-16-9-5-6-12-11(7-9)14(15(20)21)19-18-12/h2-7,16H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid?
5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2-pyridinyl)methylamino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 154803065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).