tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane

C46H55Cl2N9O4 — CID 158141133

IUPACtert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
SMILESC.CC(C)(C)OC(=O)N1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1.CC1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1
InChIInChI=1S/C24H28ClN5O3.C21H23ClN4O.CH4/c1-24(2,3)33-23(32)29-11-9-28(10-12-29)16-17-7-8-30-20(15-26-21(30)13-17)22(31)27-19-6-4-5-18(25)14-19;1-15-5-8-25(9-6-15)14-16-7-10-26-19(13-23-20(26)11-16)21(27)24-18-4-2-3-17(22)12-18;/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31);2-4,7,10-13,15H,5-6,8-9,14H2,1H3,(H,24,27);1H4
InChIKeyFTYJVWXBIBGKLW-UHFFFAOYSA-N
MW868.91 g/mol
LogP9.40
Rot. Bonds8

About tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane

tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane (PubChem CID 158141133) has the molecular formula C46H55Cl2N9O4 and a molecular weight of 868.91 g/mol. Its IUPAC name is tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane.

Molecular Properties

Compound Nametert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
PubChem CID158141133
Molecular FormulaC46H55Cl2N9O4
Molecular Weight868.91 g/mol
Exact Mass867.38
IUPAC Nametert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
SMILESC.CC(C)(C)OC(=O)N1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1.CC1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1
InChIInChI=1S/C24H28ClN5O3.C21H23ClN4O.CH4/c1-24(2,3)33-23(32)29-11-9-28(10-12-29)16-17-7-8-30-20(15-26-21(30)13-17)22(31)27-19-6-4-5-18(25)14-19;1-15-5-8-25(9-6-15)14-16-7-10-26-19(13-23-20(26)11-16)21(27)24-18-4-2-3-17(22)12-18;/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31);2-4,7,10-13,15H,5-6,8-9,14H2,1H3,(H,24,27);1H4
InChIKeyFTYJVWXBIBGKLW-UHFFFAOYSA-N
XLogP9.40
TPSA128.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.91
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane with MolForge

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Related Compounds

7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90299612
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656300
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656301
6-chloro-N-[[4-[5-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155531876
7-chloro-N-[[4-[5-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155544738
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]-2-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72849184
3-[4-(2-Chloro-6-fluoro-phenyl)-5-oxo-4,5-dihydro-3,4,7,9,9b-pentaaza-cyclopenta[a]naphthalen-8-ylamino]-7,8-dihydro-5H-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester
CID 68193665
Tert-butyl 4-chloro-2-[[8-[(6-fluoro-3-pyridinyl)amino]-3,7-dimethyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate
CID 129251764
6-[4-[(5-Chloro-2-fluorophenyl)carbamoyl]-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164912481
Tert-butyl 4-[[[2-carbamoyl-6-(2-chloro-4-pyridinyl)-3-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 164945303
Tert-butyl 4-[[[6-(2-chloro-4-pyridinyl)-2-(2-methoxyethylcarbamoyl)-3-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 164945309
Tert-butyl 4-[[[6-(2-chloro-4-pyridinyl)-3-methyl-2-(methylcarbamoyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 164945321

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane?
The IUPAC name of tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane (CID 158141133) is tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane.
What is the SMILES notation for tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane?
The canonical SMILES for tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane is C.CC(C)(C)OC(=O)N1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1.CC1CCN(Cc2ccn3c(C(=O)Nc4cccc(Cl)c4)cnc3c2)CC1.
What is the InChIKey of tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane?
The InChIKey is FTYJVWXBIBGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3.C21H23ClN4O.CH4/c1-24(2,3)33-23(32)29-11-9-28(10-12-29)16-17-7-8-30-20(15-26-21(30)13-17)22(31)27-19-6-4-5-18(25)14-19;1-15-5-8-25(9-6-15)14-16-7-10-26-19(13-23-20(26)11-16)21(27)24-18-4-2-3-17(22)12-18;/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31);2-4,7,10-13,15H,5-6,8-9,14H2,1H3,(H,24,27);1H4.
What are the key properties of tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane?
tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane has a molecular weight of 868.91 g/mol, XLogP of 9.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[(3-chlorophenyl)carbamoyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate;N-(3-chlorophenyl)-7-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane is sourced from PubChem (CID 158141133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).