(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate

C17H15N3O2 — CID 175827950

IUPAC(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate
SMILESO=C(OCc1ccc(C2CC2)cn1)c1cccc2cn[nH]c12
InChIInChI=1S/C17H15N3O2/c21-17(15-3-1-2-13-9-19-20-16(13)15)22-10-14-7-6-12(8-18-14)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,19,20)
InChIKeyVYVNPQRMTAMNCC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.19
Rot. Bonds4

About (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate

(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate (PubChem CID 175827950) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate
PubChem CID175827950
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate
SMILESO=C(OCc1ccc(C2CC2)cn1)c1cccc2cn[nH]c12
InChIInChI=1S/C17H15N3O2/c21-17(15-3-1-2-13-9-19-20-16(13)15)22-10-14-7-6-12(8-18-14)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,19,20)
InChIKeyVYVNPQRMTAMNCC-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate
CID 146107282
(4-cyanooxan-4-yl)methyl 1H-indazole-7-carboxylate
CID 84599589
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
CID 167926705
[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
CID 119203134
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
(5-cyclopropyl-2-pyridinyl)methanol
CID 67151090
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233
N-[(5-cyclopropyl-2-pyridinyl)methyl]methanimine
CID 175215941
N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
CID 36855293
2-(5-amino-2-pyridinyl)-N-(1H-indazol-7-yl)acetamide
CID 107337853
[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate
CID 97352989

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate?
The IUPAC name of (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate (CID 175827950) is (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate.
What is the SMILES notation for (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate?
The canonical SMILES for (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate is O=C(OCc1ccc(C2CC2)cn1)c1cccc2cn[nH]c12.
What is the InChIKey of (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate?
The InChIKey is VYVNPQRMTAMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(15-3-1-2-13-9-19-20-16(13)15)22-10-14-7-6-12(8-18-14)11-4-5-11/h1-3,6-9,11H,4-5,10H2,(H,19,20).
What are the key properties of (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate?
(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate is sourced from PubChem (CID 175827950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).