N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine

C23H23ClN8 — CID 155167823

IUPACN-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine
SMILESClc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C23H23ClN8/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28)
InChIKeyDLXPJWPAKWEJKT-UHFFFAOYSA-N
MW446.95 g/mol
LogP4.06
Rot. Bonds7

About N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine

N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine (PubChem CID 155167823) has the molecular formula C23H23ClN8 and a molecular weight of 446.95 g/mol. Its IUPAC name is N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine
PubChem CID155167823
Molecular FormulaC23H23ClN8
Molecular Weight446.95 g/mol
Exact Mass446.17
IUPAC NameN-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine
SMILESClc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C23H23ClN8/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28)
InChIKeyDLXPJWPAKWEJKT-UHFFFAOYSA-N
XLogP4.06
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
N,N-dimethyl-1-[3-methyl-1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162676302
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168288485
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4886402
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
3-(7-chloro-1H-indazol-4-yl)-7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 44227272
4-[4-[5-chloro-2-methyl-3-(3-pyrrolidin-1-ylpropyl)phenyl]piperazin-1-yl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidine
CID 67161637
US9777003, Example 172
CID 136963109
6-chloro-4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline-2,4-diamine
CID 137657621
7-chloro-4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137658259
3-[2-[5-[(4-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471682

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine (CID 155167823) is N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine is Clc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.
What is the InChIKey of N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine?
The InChIKey is DLXPJWPAKWEJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8/c24-17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28).
What are the key properties of N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine?
N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine has a molecular weight of 446.95 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[4-(6-chloro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine is sourced from PubChem (CID 155167823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).