4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde

C22H23F2N3O — CID 156827794

IUPAC4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde
SMILESCc1ccn2c(CC3CCC(N)CC3)c(-c3c(F)cc(C=O)cc3F)nc2c1
InChIInChI=1S/C22H23F2N3O/c1-13-6-7-27-19(11-14-2-4-16(25)5-3-14)22(26-20(27)8-13)21-17(23)9-15(12-28)10-18(21)24/h6-10,12,14,16H,2-5,11,25H2,1H3
InChIKeyLRPXABRGIZGFML-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.46
Rot. Bonds4

About 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde

4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde (PubChem CID 156827794) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde
PubChem CID156827794
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde
SMILESCc1ccn2c(CC3CCC(N)CC3)c(-c3c(F)cc(C=O)cc3F)nc2c1
InChIInChI=1S/C22H23F2N3O/c1-13-6-7-27-19(11-14-2-4-16(25)5-3-14)22(26-20(27)8-13)21-17(23)9-15(12-28)10-18(21)24/h6-10,12,14,16H,2-5,11,25H2,1H3
InChIKeyLRPXABRGIZGFML-UHFFFAOYSA-N
XLogP4.46
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde (CID 156827794) is 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde is Cc1ccn2c(CC3CCC(N)CC3)c(-c3c(F)cc(C=O)cc3F)nc2c1.
What is the InChIKey of 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde?
The InChIKey is LRPXABRGIZGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-13-6-7-27-19(11-14-2-4-16(25)5-3-14)22(26-20(27)8-13)21-17(23)9-15(12-28)10-18(21)24/h6-10,12,14,16H,2-5,11,25H2,1H3.
What are the key properties of 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde?
4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde has a molecular weight of 383.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-aminocyclohexyl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 156827794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).