[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C24H23F2N5O2 — CID 118241131

IUPAC[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C24H23F2N5O2/c1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30/h2-5,10-12,18H,6-9,13-14H2,1H3
InChIKeyAWBOMMVWGBQJOE-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.01
Rot. Bonds3

About [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241131) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118241131
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C24H23F2N5O2/c1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30/h2-5,10-12,18H,6-9,13-14H2,1H3
InChIKeyAWBOMMVWGBQJOE-UHFFFAOYSA-N
XLogP4.01
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241077
(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 118241088
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 70798654
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118506084
6-(2-methyl-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118241085
6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118241111
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 70798817
(4-aminopiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-hydroxyazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2-methylmorpholin-4-yl)methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 162216854
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-(4-hydroxycyclohexyl)-6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide;[4-(2-hydroxyethyl)piperazin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-[1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 162139711
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 145052109
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone
CID 89212502
6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70798553

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241131) is [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CCC(F)(F)C6)C5)n4c3)ccc2o1.
What is the InChIKey of [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is AWBOMMVWGBQJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-15-28-19-10-16(2-4-21(19)33-15)17-3-5-22-27-11-20(31(22)12-17)23(32)29-8-6-18(13-29)30-9-7-24(25,26)14-30/h2-5,10-12,18H,6-9,13-14H2,1H3.
What are the key properties of [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 451.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).