3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide

C23H19N7O2S — CID 177283677

IUPAC3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3cncs3)n2)nc(C(N)=O)c1N
InChIInChI=1S/C23H19N7O2S/c1-12-5-6-16-15(9-27-30-16)20(12)14-7-18(29-22(21(14)24)23(25)31)17-3-2-4-19(28-17)32-10-13-8-26-11-33-13/h2-9,11H,10,24H2,1H3,(H2,25,31)(H,27,30)
InChIKeyANKYBFRBNQGPIR-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.71
Rot. Bonds6

About 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide

3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 177283677) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID177283677
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3cncs3)n2)nc(C(N)=O)c1N
InChIInChI=1S/C23H19N7O2S/c1-12-5-6-16-15(9-27-30-16)20(12)14-7-18(29-22(21(14)24)23(25)31)17-3-2-4-19(28-17)32-10-13-8-26-11-33-13/h2-9,11H,10,24H2,1H3,(H2,25,31)(H,27,30)
InChIKeyANKYBFRBNQGPIR-UHFFFAOYSA-N
XLogP3.71
TPSA145.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide (CID 177283677) is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3cncs3)n2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ANKYBFRBNQGPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c1-12-5-6-16-15(9-27-30-16)20(12)14-7-18(29-22(21(14)24)23(25)31)17-3-2-4-19(28-17)32-10-13-8-26-11-33-13/h2-9,11H,10,24H2,1H3,(H2,25,31)(H,27,30).
What are the key properties of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide?
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 177283677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).