[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid

C27H26FN7O5S — CID 174172621

IUPAC[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(F)c4n3)ccc2S(=O)(=O)NC(=O)O)n1
InChIInChI=1S/C27H26FN7O5S/c1-14-6-7-29-24(31-14)19-10-20(19)26(36)33-22-9-17(4-5-23(22)41(39,40)34-27(37)38)30-11-18-13-35-12-16(15-2-3-15)8-21(28)25(35)32-18/h4-9,12-13,15,19-20,30,34H,2-3,10-11H2,1H3,(H,33,36)(H,37,38)/t19-,20-/m0/s1
InChIKeyWODLZSGKSPWCTQ-PMACEKPBSA-N
MW579.61 g/mol
LogP3.76
Rot. Bonds9

About [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid

[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid (PubChem CID 174172621) has the molecular formula C27H26FN7O5S and a molecular weight of 579.61 g/mol. Its IUPAC name is [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid
PubChem CID174172621
Molecular FormulaC27H26FN7O5S
Molecular Weight579.61 g/mol
Exact Mass579.17
IUPAC Name[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(F)c4n3)ccc2S(=O)(=O)NC(=O)O)n1
InChIInChI=1S/C27H26FN7O5S/c1-14-6-7-29-24(31-14)19-10-20(19)26(36)33-22-9-17(4-5-23(22)41(39,40)34-27(37)38)30-11-18-13-35-12-16(15-2-3-15)8-21(28)25(35)32-18/h4-9,12-13,15,19-20,30,34H,2-3,10-11H2,1H3,(H,33,36)(H,37,38)/t19-,20-/m0/s1
InChIKeyWODLZSGKSPWCTQ-PMACEKPBSA-N
XLogP3.76
TPSA167.68 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.61
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid?
The IUPAC name of [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid (CID 174172621) is [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid.
What is the SMILES notation for [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid?
The canonical SMILES for [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(F)c4n3)ccc2S(=O)(=O)NC(=O)O)n1.
What is the InChIKey of [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid?
The InChIKey is WODLZSGKSPWCTQ-PMACEKPBSA-N. The full InChI is InChI=1S/C27H26FN7O5S/c1-14-6-7-29-24(31-14)19-10-20(19)26(36)33-22-9-17(4-5-23(22)41(39,40)34-27(37)38)30-11-18-13-35-12-16(15-2-3-15)8-21(28)25(35)32-18/h4-9,12-13,15,19-20,30,34H,2-3,10-11H2,1H3,(H,33,36)(H,37,38)/t19-,20-/m0/s1.
What are the key properties of [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid?
[4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid has a molecular weight of 579.61 g/mol, XLogP of 3.76, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]sulfonylcarbamic acid is sourced from PubChem (CID 174172621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).