N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

C24H23N5O2S — CID 134328532

IUPACN-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(SC4COC4)cn23)c1
InChIInChI=1S/C24H23N5O2S/c1-15-2-3-16(24(30)27-18-4-5-18)8-21(15)17-9-26-29(11-17)23-10-25-22-7-6-19(12-28(22)23)32-20-13-31-14-20/h2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
InChIKeyXOQHWZVWCWUOSZ-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.88
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328532) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328532
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(SC4COC4)cn23)c1
InChIInChI=1S/C24H23N5O2S/c1-15-2-3-16(24(30)27-18-4-5-18)8-21(15)17-9-26-29(11-17)23-10-25-22-7-6-19(12-28(22)23)32-20-13-31-14-20/h2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
InChIKeyXOQHWZVWCWUOSZ-UHFFFAOYSA-N
XLogP3.88
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328532) is N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(SC4COC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is XOQHWZVWCWUOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15-2-3-16(24(30)27-18-4-5-18)8-21(15)17-9-26-29(11-17)23-10-25-22-7-6-19(12-28(22)23)32-20-13-31-14-20/h2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 445.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).