6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H28ClN5O — CID 135194026

IUPAC6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C27H28ClN5O/c1-2-24-26(33-18-22(28)5-8-25(33)31-24)27(34)30-17-19-3-6-23(7-4-19)32-15-11-21(12-16-32)20-9-13-29-14-10-20/h3-10,13-14,18,21H,2,11-12,15-17H2,1H3,(H,30,34)
InChIKeyVVZQNPSKSDMDEB-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.26
Rot. Bonds6

About 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135194026) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135194026
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC Name6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccncc3)CC2)cc1
InChIInChI=1S/C27H28ClN5O/c1-2-24-26(33-18-22(28)5-8-25(33)31-24)27(34)30-17-19-3-6-23(7-4-19)32-15-11-21(12-16-32)20-9-13-29-14-10-20/h3-10,13-14,18,21H,2,11-12,15-17H2,1H3,(H,30,34)
InChIKeyVVZQNPSKSDMDEB-UHFFFAOYSA-N
XLogP5.26
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194050
6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135193991
6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155533904
2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442279
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442375
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193990
6-chloro-2-ethyl-N-[[4-(2-phenyl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 153447158
N-[[4-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-fluorophenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 135194026) is 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccncc3)CC2)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VVZQNPSKSDMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-2-24-26(33-18-22(28)5-8-25(33)31-24)27(34)30-17-19-3-6-23(7-4-19)32-15-11-21(12-16-32)20-9-13-29-14-10-20/h3-10,13-14,18,21H,2,11-12,15-17H2,1H3,(H,30,34).
What are the key properties of 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135194026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).