N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide

C24H22F2N4O2 — CID 68633270

IUPACN-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)c1
InChIInChI=1S/C24H22F2N4O2/c1-24(2,3)29-23(32)16-8-15(9-27-10-16)20-12-30-11-14(4-7-21(30)28-20)17-5-6-19(25)18(13-31)22(17)26/h4-12,31H,13H2,1-3H3,(H,29,32)
InChIKeyBIALUSTZNHBVQQ-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.36
Rot. Bonds4

About N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide

N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 68633270) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID68633270
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)c1
InChIInChI=1S/C24H22F2N4O2/c1-24(2,3)29-23(32)16-8-15(9-27-10-16)20-12-30-11-14(4-7-21(30)28-20)17-5-6-19(25)18(13-31)22(17)26/h4-12,31H,13H2,1-3H3,(H,29,32)
InChIKeyBIALUSTZNHBVQQ-UHFFFAOYSA-N
XLogP4.36
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide (CID 68633270) is N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)c1.
What is the InChIKey of N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is BIALUSTZNHBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-24(2,3)29-23(32)16-8-15(9-27-10-16)20-12-30-11-14(4-7-21(30)28-20)17-5-6-19(25)18(13-31)22(17)26/h4-12,31H,13H2,1-3H3,(H,29,32).
What are the key properties of N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide?
N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[6-[2,4-difluoro-3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68633270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).