3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide

C21H19N7O3 — CID 177283739

IUPAC3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OC3COC3)n2)nc(C(N)=O)c1N
InChIInChI=1S/C21H19N7O3/c1-10-2-3-14-13(7-25-28-14)17(10)12-6-16(26-19(18(12)22)20(23)29)15-4-5-24-21(27-15)31-11-8-30-9-11/h2-7,11H,8-9,22H2,1H3,(H2,23,29)(H,25,28)
InChIKeyZJVUCZUHZHORIK-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide

3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 177283739) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide
PubChem CID177283739
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OC3COC3)n2)nc(C(N)=O)c1N
InChIInChI=1S/C21H19N7O3/c1-10-2-3-14-13(7-25-28-14)17(10)12-6-16(26-19(18(12)22)20(23)29)15-4-5-24-21(27-15)31-11-8-30-9-11/h2-7,11H,8-9,22H2,1H3,(H2,23,29)(H,25,28)
InChIKeyZJVUCZUHZHORIK-UHFFFAOYSA-N
XLogP1.85
TPSA154.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.85
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-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide (CID 177283739) is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OC3COC3)n2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide?
The InChIKey is ZJVUCZUHZHORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-10-2-3-14-13(7-25-28-14)17(10)12-6-16(26-19(18(12)22)20(23)29)15-4-5-24-21(27-15)31-11-8-30-9-11/h2-7,11H,8-9,22H2,1H3,(H2,23,29)(H,25,28).
What are the key properties of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide?
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 1.85, 5 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-[2-(oxetan-3-yloxy)pyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).