N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide

C21H24N4O3S — CID 86701965

IUPACN-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
SMILESCC(C)S(=O)(=O)N1CC(c2ccc(C(=O)NCc3ccn4ccnc4c3)cc2)C1
InChIInChI=1S/C21H24N4O3S/c1-15(2)29(27,28)25-13-19(14-25)17-3-5-18(6-4-17)21(26)23-12-16-7-9-24-10-8-22-20(24)11-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26)
InChIKeyBHHCTNZEXUJYDM-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.40
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide

N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide (PubChem CID 86701965) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
PubChem CID86701965
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
SMILESCC(C)S(=O)(=O)N1CC(c2ccc(C(=O)NCc3ccn4ccnc4c3)cc2)C1
InChIInChI=1S/C21H24N4O3S/c1-15(2)29(27,28)25-13-19(14-25)17-3-5-18(6-4-17)21(26)23-12-16-7-9-24-10-8-22-20(24)11-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26)
InChIKeyBHHCTNZEXUJYDM-UHFFFAOYSA-N
XLogP2.40
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide (CID 86701965) is N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide is CC(C)S(=O)(=O)N1CC(c2ccc(C(=O)NCc3ccn4ccnc4c3)cc2)C1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide?
The InChIKey is BHHCTNZEXUJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(2)29(27,28)25-13-19(14-25)17-3-5-18(6-4-17)21(26)23-12-16-7-9-24-10-8-22-20(24)11-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide?
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide is sourced from PubChem (CID 86701965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).