methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate

C20H17N5O2 — CID 118663733

IUPACmethyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)ccc1N
InChIInChI=1S/C20H17N5O2/c1-12-4-3-5-18(23-12)25-17-10-13(6-7-14(17)11-22-25)16-9-8-15(21)19(24-16)20(26)27-2/h3-11H,21H2,1-2H3
InChIKeyRTOUUOPDAVJGAQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.16
Rot. Bonds3

About methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate

methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate (PubChem CID 118663733) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate
PubChem CID118663733
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Namemethyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)ccc1N
InChIInChI=1S/C20H17N5O2/c1-12-4-3-5-18(23-12)25-17-10-13(6-7-14(17)11-22-25)16-9-8-15(21)19(24-16)20(26)27-2/h3-11H,21H2,1-2H3
InChIKeyRTOUUOPDAVJGAQ-UHFFFAOYSA-N
XLogP3.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate (CID 118663733) is methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)ccc1N.
What is the InChIKey of methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate?
The InChIKey is RTOUUOPDAVJGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-4-3-5-18(23-12)25-17-10-13(6-7-14(17)11-22-25)16-9-8-15(21)19(24-16)20(26)27-2/h3-11H,21H2,1-2H3.
What are the key properties of methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate?
methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 118663733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).