N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

C22H25F2N5O — CID 46286744

IUPACN-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H25F2N5O/c1-14(2)12-20-26-19-4-3-9-25-21(19)29(20)16-7-10-28(11-8-16)22(30)27-18-6-5-15(23)13-17(18)24/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,27,30)
InChIKeyYGXJFKHTTLTTKO-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.78
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 46286744) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID46286744
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H25F2N5O/c1-14(2)12-20-26-19-4-3-9-25-21(19)29(20)16-7-10-28(11-8-16)22(30)27-18-6-5-15(23)13-17(18)24/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,27,30)
InChIKeyYGXJFKHTTLTTKO-UHFFFAOYSA-N
XLogP4.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (CID 46286744) is N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is CC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is YGXJFKHTTLTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-14(2)12-20-26-19-4-3-9-25-21(19)29(20)16-7-10-28(11-8-16)22(30)27-18-6-5-15(23)13-17(18)24/h3-6,9,13-14,16H,7-8,10-12H2,1-2H3,(H,27,30).
What are the key properties of N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 46286744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).