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-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

C48H46N10O6S2 — CID 160945636

IUPACN-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-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4COC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(SC4COC4)cn23)c1
InChIInChI=1S/C24H23N5O4S.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)34(31,32)20-13-33-14-20;1-15-2-3-16(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);2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
InChIKeySVBKBSVBCKUQIS-UHFFFAOYSA-N
MW923.09 g/mol
LogP6.44
Rot. Bonds12

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-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 160945636) has the molecular formula C48H46N10O6S2 and a molecular weight of 923.09 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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID160945636
Molecular FormulaC48H46N10O6S2
Molecular Weight923.09 g/mol
Exact Mass922.30
IUPAC NameN-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-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4COC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(SC4COC4)cn23)c1
InChIInChI=1S/C24H23N5O4S.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)34(31,32)20-13-33-14-20;1-15-2-3-16(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);2-3,6-12,18,20H,4-5,13-14H2,1H3,(H,27,30)
InChIKeySVBKBSVBCKUQIS-UHFFFAOYSA-N
XLogP6.44
TPSA181.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.09
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 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-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide with MolForge

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Related Compounds

US10138241, Example 39
CID 134328497
US10138241, Example 36
CID 134328510
US10138241, Example 33
CID 134328591
US10138241, Example 20
CID 134328438
US10138241, Example 79
CID 134328441
US10138241, Example 37
CID 134328456
US10138241, Example 19
CID 134328476
US10138241, Example 38
CID 134328485
US10138241, Example 80
CID 134328488
US10138241, Example 27
CID 134328521
US10138241, Example 23
CID 134328532
US10138241, Example 77
CID 134328563

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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 160945636) is 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-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4COC4)cn23)c1.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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is SVBKBSVBCKUQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S.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)34(31,32)20-13-33-14-20;1-15-2-3-16(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);2-3,6-12,18,20H,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-ylsulfonyl)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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 923.09 g/mol, XLogP of 6.44, 12 rotatable bonds, 2 hydrogen bond donors, and 15 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;N-cyclopropyl-4-methyl-3-[1-[6-(oxetan-3-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 160945636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).