3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide

C24H22N8O2 — CID 177283565

IUPAC3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3nccn3C)n2)nc(C(N)=O)c1N
InChIInChI=1S/C24H22N8O2/c1-13-6-7-16-15(11-28-31-16)21(13)14-10-18(30-23(22(14)25)24(26)33)17-4-3-5-20(29-17)34-12-19-27-8-9-32(19)2/h3-11H,12,25H2,1-2H3,(H2,26,33)(H,28,31)
InChIKeyYSYZUBBBZPBHGZ-UHFFFAOYSA-N
MW454.49 g/mol
LogP2.99
Rot. Bonds6

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

3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (PubChem CID 177283565) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
PubChem CID177283565
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3nccn3C)n2)nc(C(N)=O)c1N
InChIInChI=1S/C24H22N8O2/c1-13-6-7-16-15(11-28-31-16)21(13)14-10-18(30-23(22(14)25)24(26)33)17-4-3-5-20(29-17)34-12-19-27-8-9-32(19)2/h3-11H,12,25H2,1-2H3,(H2,26,33)(H,28,31)
InChIKeyYSYZUBBBZPBHGZ-UHFFFAOYSA-N
XLogP2.99
TPSA150.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (CID 177283565) is 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3nccn3C)n2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YSYZUBBBZPBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-13-6-7-16-15(11-28-31-16)21(13)14-10-18(30-23(22(14)25)24(26)33)17-4-3-5-20(29-17)34-12-19-27-8-9-32(19)2/h3-11H,12,25H2,1-2H3,(H2,26,33)(H,28,31).
What are the key properties of 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?
3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177283565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).