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

C23H25N7O3 — CID 177283444

IUPAC3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
SMILESCCC(COC)Oc1nccc(-c2cc(-c3c(C)ccc4[nH]ncc34)c(N)c(C(N)=O)n2)n1
InChIInChI=1S/C23H25N7O3/c1-4-13(11-32-3)33-23-26-8-7-17(29-23)18-9-14(20(24)21(28-18)22(25)31)19-12(2)5-6-16-15(19)10-27-30-16/h5-10,13H,4,11,24H2,1-3H3,(H2,25,31)(H,27,30)
InChIKeyUEUZBYZKBGCAEU-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.88
Rot. Bonds8

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

3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (PubChem CID 177283444) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
PubChem CID177283444
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
SMILESCCC(COC)Oc1nccc(-c2cc(-c3c(C)ccc4[nH]ncc34)c(N)c(C(N)=O)n2)n1
InChIInChI=1S/C23H25N7O3/c1-4-13(11-32-3)33-23-26-8-7-17(29-23)18-9-14(20(24)21(28-18)22(25)31)19-12(2)5-6-16-15(19)10-27-30-16/h5-10,13H,4,11,24H2,1-3H3,(H2,25,31)(H,27,30)
InChIKeyUEUZBYZKBGCAEU-UHFFFAOYSA-N
XLogP2.88
TPSA154.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (CID 177283444) is 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is CCC(COC)Oc1nccc(-c2cc(-c3c(C)ccc4[nH]ncc34)c(N)c(C(N)=O)n2)n1.
What is the InChIKey of 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UEUZBYZKBGCAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-4-13(11-32-3)33-23-26-8-7-17(29-23)18-9-14(20(24)21(28-18)22(25)31)19-12(2)5-6-16-15(19)10-27-30-16/h5-10,13H,4,11,24H2,1-3H3,(H2,25,31)(H,27,30).
What are the key properties of 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(1-methoxybutan-2-yloxy)pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177283444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).