6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide

C26H29FN4O5S — CID 118590480

IUPAC6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)c2cnc3ccc(N4CCCC4c4cc(F)ccc4O[C@@H]4CCOC4)cn23)CC1
InChIInChI=1S/C26H29FN4O5S/c1-26(9-10-26)37(33,34)29-25(32)22-14-28-24-7-5-18(15-31(22)24)30-11-2-3-21(30)20-13-17(27)4-6-23(20)36-19-8-12-35-16-19/h4-7,13-15,19,21H,2-3,8-12,16H2,1H3,(H,29,32)/t19-,21?/m1/s1
InChIKeyBRXWDPKRMDHNNB-YMBRHYMPSA-N
MW528.61 g/mol
LogP3.59
Rot. Bonds7

About 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide

6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590480) has the molecular formula C26H29FN4O5S and a molecular weight of 528.61 g/mol. Its IUPAC name is 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118590480
Molecular FormulaC26H29FN4O5S
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1(S(=O)(=O)NC(=O)c2cnc3ccc(N4CCCC4c4cc(F)ccc4O[C@@H]4CCOC4)cn23)CC1
InChIInChI=1S/C26H29FN4O5S/c1-26(9-10-26)37(33,34)29-25(32)22-14-28-24-7-5-18(15-31(22)24)30-11-2-3-21(30)20-13-17(27)4-6-23(20)36-19-8-12-35-16-19/h4-7,13-15,19,21H,2-3,8-12,16H2,1H3,(H,29,32)/t19-,21?/m1/s1
InChIKeyBRXWDPKRMDHNNB-YMBRHYMPSA-N
XLogP3.59
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide (CID 118590480) is 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide is CC1(S(=O)(=O)NC(=O)c2cnc3ccc(N4CCCC4c4cc(F)ccc4O[C@@H]4CCOC4)cn23)CC1.
What is the InChIKey of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BRXWDPKRMDHNNB-YMBRHYMPSA-N. The full InChI is InChI=1S/C26H29FN4O5S/c1-26(9-10-26)37(33,34)29-25(32)22-14-28-24-7-5-18(15-31(22)24)30-11-2-3-21(30)20-13-17(27)4-6-23(20)36-19-8-12-35-16-19/h4-7,13-15,19,21H,2-3,8-12,16H2,1H3,(H,29,32)/t19-,21?/m1/s1.
What are the key properties of 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide?
6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).