7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine

C14H19ClN4 — CID 82343266

IUPAC7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2cc(Cl)ccn2c1CN1CCCNCC1
InChIInChI=1S/C14H19ClN4/c1-11-13(10-18-6-2-4-16-5-8-18)19-7-3-12(15)9-14(19)17-11/h3,7,9,16H,2,4-6,8,10H2,1H3
InChIKeyHHSNQEKDLMLUFY-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.09
Rot. Bonds2

About 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine

7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine (PubChem CID 82343266) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
PubChem CID82343266
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2cc(Cl)ccn2c1CN1CCCNCC1
InChIInChI=1S/C14H19ClN4/c1-11-13(10-18-6-2-4-16-5-8-18)19-7-3-12(15)9-14(19)17-11/h3,7,9,16H,2,4-6,8,10H2,1H3
InChIKeyHHSNQEKDLMLUFY-UHFFFAOYSA-N
XLogP2.09
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
7-chloro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82343226
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
1-[(2,3-dichloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 120834339
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 82510170
1-[(3,5-dichlorophenyl)methyl]-1,4-diazepane
CID 61058216
2-(4-chlorophenyl)-3-(1,4-diazepan-1-ylmethyl)-6-(1-methylpyrrol-2-yl)imidazo[1,2-a]pyridine
CID 66554564
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1-[(4-chloro-2-nitrophenyl)methyl]-1,4-diazepane
CID 62100052
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine (CID 82343266) is 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine is Cc1nc2cc(Cl)ccn2c1CN1CCCNCC1.
What is the InChIKey of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine?
The InChIKey is HHSNQEKDLMLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-11-13(10-18-6-2-4-16-5-8-18)19-7-3-12(15)9-14(19)17-11/h3,7,9,16H,2,4-6,8,10H2,1H3.
What are the key properties of 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine?
7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82343266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).