N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H21ClF2N4O4 — CID 118321118

IUPACN-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)(CO)c1ccc(Cl)cn1
InChIInChI=1S/C24H21ClF2N4O4/c1-14-21(23(34)30-24(12-32,13-33)20-8-7-15(25)10-28-20)31-9-3-6-19(22(31)29-14)35-11-16-17(26)4-2-5-18(16)27/h2-10,32-33H,11-13H2,1H3,(H,30,34)
InChIKeyBYZCETUFSASIDX-UHFFFAOYSA-N
MW502.91 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118321118) has the molecular formula C24H21ClF2N4O4 and a molecular weight of 502.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118321118
Molecular FormulaC24H21ClF2N4O4
Molecular Weight502.91 g/mol
Exact Mass502.12
IUPAC NameN-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)(CO)c1ccc(Cl)cn1
InChIInChI=1S/C24H21ClF2N4O4/c1-14-21(23(34)30-24(12-32,13-33)20-8-7-15(25)10-28-20)31-9-3-6-19(22(31)29-14)35-11-16-17(26)4-2-5-18(16)27/h2-10,32-33H,11-13H2,1H3,(H,30,34)
InChIKeyBYZCETUFSASIDX-UHFFFAOYSA-N
XLogP3.16
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.91
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118321118) is N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)(CO)c1ccc(Cl)cn1.
What is the InChIKey of N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BYZCETUFSASIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4O4/c1-14-21(23(34)30-24(12-32,13-33)20-8-7-15(25)10-28-20)31-9-3-6-19(22(31)29-14)35-11-16-17(26)4-2-5-18(16)27/h2-10,32-33H,11-13H2,1H3,(H,30,34).
What are the key properties of N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 502.91 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118321118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).