2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C24H27F2N3O3 — CID 90116157

IUPAC2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C2CC2)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C24H27F2N3O3/c1-2-3-6-16(13-30)27-24(31)22-21(15-10-11-15)28-23-20(9-5-12-29(22)23)32-14-17-18(25)7-4-8-19(17)26/h4-5,7-9,12,15-16,30H,2-3,6,10-11,13-14H2,1H3,(H,27,31)/t16-/m1/s1
InChIKeyHGFGAYAXVZJAKM-MRXNPFEDSA-N
MW443.49 g/mol
LogP4.35
Rot. Bonds10

About 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90116157) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90116157
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C2CC2)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C24H27F2N3O3/c1-2-3-6-16(13-30)27-24(31)22-21(15-10-11-15)28-23-20(9-5-12-29(22)23)32-14-17-18(25)7-4-8-19(17)26/h4-5,7-9,12,15-16,30H,2-3,6,10-11,13-14H2,1H3,(H,27,31)/t16-/m1/s1
InChIKeyHGFGAYAXVZJAKM-MRXNPFEDSA-N
XLogP4.35
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90116157) is 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C2CC2)nc2c(OCc3c(F)cccc3F)cccn12.
What is the InChIKey of 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HGFGAYAXVZJAKM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-2-3-6-16(13-30)27-24(31)22-21(15-10-11-15)28-23-20(9-5-12-29(22)23)32-14-17-18(25)7-4-8-19(17)26/h4-5,7-9,12,15-16,30H,2-3,6,10-11,13-14H2,1H3,(H,27,31)/t16-/m1/s1.
What are the key properties of 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-1-hydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90116157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).