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

C26H29N9O — CID 155167625

IUPAC4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C26H29N9O/c1-33(2)26(36)19-8-21(22-12-28-30-23(22)9-19)24-16-35(32-31-24)15-20-14-34-13-18(6-7-25(34)29-20)11-27-10-17-4-3-5-17/h6-9,12-14,16-17,27H,3-5,10-11,15H2,1-2H3,(H,28,30)
InChIKeyIYPKWAWYFYTUNA-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.11
Rot. Bonds8

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

4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide (PubChem CID 155167625) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide
PubChem CID155167625
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C26H29N9O/c1-33(2)26(36)19-8-21(22-12-28-30-23(22)9-19)24-16-35(32-31-24)15-20-14-34-13-18(6-7-25(34)29-20)11-27-10-17-4-3-5-17/h6-9,12-14,16-17,27H,3-5,10-11,15H2,1-2H3,(H,28,30)
InChIKeyIYPKWAWYFYTUNA-UHFFFAOYSA-N
XLogP3.11
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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,N-dimethyl-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,N-dimethyl-1H-indazole-6-carboxamide (CID 155167625) is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1H-indazole-6-carboxamide is CN(C)C(=O)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,N-dimethyl-1H-indazole-6-carboxamide?
The InChIKey is IYPKWAWYFYTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c1-33(2)26(36)19-8-21(22-12-28-30-23(22)9-19)24-16-35(32-31-24)15-20-14-34-13-18(6-7-25(34)29-20)11-27-10-17-4-3-5-17/h6-9,12-14,16-17,27H,3-5,10-11,15H2,1-2H3,(H,28,30).
What are the key properties of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide?
4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N,N-dimethyl-1H-indazole-6-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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,N-dimethyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 155167625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).