N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide

C22H22F4N4O — CID 18734576

IUPACN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
SMILESCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C22H22F4N4O/c1-2-3-9-29(22(31)18-19(25)14(23)10-15(24)20(18)26)12-17-28-16-5-4-8-27-21(16)30(17)11-13-6-7-13/h4-5,8,10,13H,2-3,6-7,9,11-12H2,1H3
InChIKeyABMSAWBOEWBRDB-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.84
Rot. Bonds8

About N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide

N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 18734576) has the molecular formula C22H22F4N4O and a molecular weight of 434.44 g/mol. Its IUPAC name is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
PubChem CID18734576
Molecular FormulaC22H22F4N4O
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC NameN-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide
SMILESCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C22H22F4N4O/c1-2-3-9-29(22(31)18-19(25)14(23)10-15(24)20(18)26)12-17-28-16-5-4-8-27-21(16)30(17)11-13-6-7-13/h4-5,8,10,13H,2-3,6-7,9,11-12H2,1H3
InChIKeyABMSAWBOEWBRDB-UHFFFAOYSA-N
XLogP4.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluorobenzamide
CID 18734412
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 18734578
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
CID 18734179
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,2-dimethylbenzamide
CID 18734184
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide
CID 18734067
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-pentylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-pentyl-6-(trifluoromethyl)benzamide;5-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159340275
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluorobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-methylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;2-fluoro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159885764
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide (CID 18734576) is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide is CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide?
The InChIKey is ABMSAWBOEWBRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O/c1-2-3-9-29(22(31)18-19(25)14(23)10-15(24)20(18)26)12-17-28-16-5-4-8-27-21(16)30(17)11-13-6-7-13/h4-5,8,10,13H,2-3,6-7,9,11-12H2,1H3.
What are the key properties of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide?
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 434.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 18734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).