6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine

C21H25ClN4 — CID 1154253

IUPAC6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1
InChIInChI=1S/C21H25ClN4/c1-25(2)18-11-8-15(9-12-18)20-21(23-17-6-4-3-5-7-17)26-14-16(22)10-13-19(26)24-20/h8-14,17,23H,3-7H2,1-2H3
InChIKeyZJLDMNIEWUCZQN-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.47
Rot. Bonds4

About 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine

6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 1154253) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID1154253
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1
InChIInChI=1S/C21H25ClN4/c1-25(2)18-11-8-15(9-12-18)20-21(23-17-6-4-3-5-7-17)26-14-16(22)10-13-19(26)24-20/h8-14,17,23H,3-7H2,1-2H3
InChIKeyZJLDMNIEWUCZQN-UHFFFAOYSA-N
XLogP5.47
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 1154253) is 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine is CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZJLDMNIEWUCZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-25(2)18-11-8-15(9-12-18)20-21(23-17-6-4-3-5-7-17)26-14-16(22)10-13-19(26)24-20/h8-14,17,23H,3-7H2,1-2H3.
What are the key properties of 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine?
6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 368.91 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 1154253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).