4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide

C20H19F2N5O3 — CID 46234626

IUPAC4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccn2ccnc2c1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)29-16-2-1-14(11-17(16)30-20)13-25-7-9-27(10-8-25)19(28)24-15-3-5-26-6-4-23-18(26)12-15/h1-6,11-12H,7-10,13H2,(H,24,28)
InChIKeyXUBXZLSSXRGVCP-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.01
Rot. Bonds3

About 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide

4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide (PubChem CID 46234626) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide
PubChem CID46234626
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccn2ccnc2c1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)29-16-2-1-14(11-17(16)30-20)13-25-7-9-27(10-8-25)19(28)24-15-3-5-26-6-4-23-18(26)12-15/h1-6,11-12H,7-10,13H2,(H,24,28)
InChIKeyXUBXZLSSXRGVCP-UHFFFAOYSA-N
XLogP3.01
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-1,2-oxazol-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide
CID 46234936
cyclopropyl-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134702101
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1343320
7-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylic acid
CID 67536721
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propanoyl-1,4-diazepane-1-carboxamide
CID 166188024
4-[(4-methylsulfonylphenyl)methyl]-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)-1,4-diazepane-1-carboxamide
CID 3461630
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dihydroxyphenyl)piperazine-1-carboxamide
CID 108895611
4-(1,3-benzodioxol-5-ylmethyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814212
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17087387
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 3570763
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 1079402
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide (CID 46234626) is 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide is O=C(Nc1ccn2ccnc2c1)N1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide?
The InChIKey is XUBXZLSSXRGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c21-20(22)29-16-2-1-14(11-17(16)30-20)13-25-7-9-27(10-8-25)19(28)24-15-3-5-26-6-4-23-18(26)12-15/h1-6,11-12H,7-10,13H2,(H,24,28).
What are the key properties of 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide?
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-imidazo[1,2-a]pyridin-7-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46234626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).