4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide

C26H29N9O2 — CID 155167545

IUPAC4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCO)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C26H29N9O2/c36-7-6-28-26(37)19-8-21(22-12-29-31-23(22)9-19)24-16-35(33-32-24)15-20-14-34-13-18(4-5-25(34)30-20)11-27-10-17-2-1-3-17/h4-5,8-9,12-14,16-17,27,36H,1-3,6-7,10-11,15H2,(H,28,37)(H,29,31)
InChIKeyCPYNQMAQWCCTEC-UHFFFAOYSA-N
MW499.58 g/mol
LogP2.13
Rot. Bonds10

About 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide

4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide (PubChem CID 155167545) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide
PubChem CID155167545
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCO)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C26H29N9O2/c36-7-6-28-26(37)19-8-21(22-12-29-31-23(22)9-19)24-16-35(33-32-24)15-20-14-34-13-18(4-5-25(34)30-20)11-27-10-17-2-1-3-17/h4-5,8-9,12-14,16-17,27,36H,1-3,6-7,10-11,15H2,(H,28,37)(H,29,31)
InChIKeyCPYNQMAQWCCTEC-UHFFFAOYSA-N
XLogP2.13
TPSA138.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide?
The IUPAC name of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide (CID 155167545) is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide?
The canonical SMILES for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide is O=C(NCCO)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.
What is the InChIKey of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide?
The InChIKey is CPYNQMAQWCCTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c36-7-6-28-26(37)19-8-21(22-12-29-31-23(22)9-19)24-16-35(33-32-24)15-20-14-34-13-18(4-5-25(34)30-20)11-27-10-17-2-1-3-17/h4-5,8-9,12-14,16-17,27,36H,1-3,6-7,10-11,15H2,(H,28,37)(H,29,31).
What are the key properties of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide?
4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 2.13, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 155167545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).