3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C23H22ClN3O2 — CID 167414210

IUPAC3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1nc2n(c1Cl)CC(c1ccccc1)CC2
InChIInChI=1S/C23H22ClN3O2/c24-22-21(23(28)25-18-12-16-8-4-5-9-19(16)29-14-18)26-20-11-10-17(13-27(20)22)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,25,28)
InChIKeyDOIIKVWVJDFFCI-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.00
Rot. Bonds3

About 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 167414210) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID167414210
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1nc2n(c1Cl)CC(c1ccccc1)CC2
InChIInChI=1S/C23H22ClN3O2/c24-22-21(23(28)25-18-12-16-8-4-5-9-19(16)29-14-18)26-20-11-10-17(13-27(20)22)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,25,28)
InChIKeyDOIIKVWVJDFFCI-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 167414210) is 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1COc2ccccc2C1)c1nc2n(c1Cl)CC(c1ccccc1)CC2.
What is the InChIKey of 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DOIIKVWVJDFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-22-21(23(28)25-18-12-16-8-4-5-9-19(16)29-14-18)26-20-11-10-17(13-27(20)22)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,25,28).
What are the key properties of 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dihydro-2H-chromen-3-yl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 167414210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).