propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate

C27H36FN5O3 — CID 68892077

IUPACpropan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1F
InChIInChI=1S/C27H36FN5O3/c1-4-11-29-26(34)23-8-5-19(14-24(23)28)25-16-30-20(15-31-25)17-33(21-6-7-21)22-9-12-32(13-10-22)27(35)36-18(2)3/h5,8,14-16,18,21-22H,4,6-7,9-13,17H2,1-3H3,(H,29,34)
InChIKeyKZBTXASOYAKBGJ-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.40
Rot. Bonds9

About propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate (PubChem CID 68892077) has the molecular formula C27H36FN5O3 and a molecular weight of 497.62 g/mol. Its IUPAC name is propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate
PubChem CID68892077
Molecular FormulaC27H36FN5O3
Molecular Weight497.62 g/mol
Exact Mass497.28
IUPAC Namepropan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1F
InChIInChI=1S/C27H36FN5O3/c1-4-11-29-26(34)23-8-5-19(14-24(23)28)25-16-30-20(15-31-25)17-33(21-6-7-21)22-9-12-32(13-10-22)27(35)36-18(2)3/h5,8,14-16,18,21-22H,4,6-7,9-13,17H2,1-3H3,(H,29,34)
InChIKeyKZBTXASOYAKBGJ-UHFFFAOYSA-N
XLogP4.40
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
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propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
CID 86898563
propan-2-yl 2-[[cyclopropyl(methyl)amino]methyl]-4-(4-ethyl-3-fluorophenyl)benzoate
CID 71045668
propan-2-yl 4-[[cyclopropyl-[6-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]methyl]amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate (CID 68892077) is propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate is CCCNC(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)OC(C)C)CC3)cn2)cc1F.
What is the InChIKey of propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate?
The InChIKey is KZBTXASOYAKBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5O3/c1-4-11-29-26(34)23-8-5-19(14-24(23)28)25-16-30-20(15-31-25)17-33(21-6-7-21)22-9-12-32(13-10-22)27(35)36-18(2)3/h5,8,14-16,18,21-22H,4,6-7,9-13,17H2,1-3H3,(H,29,34).
What are the key properties of propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate has a molecular weight of 497.62 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[cyclopropyl-[[5-[3-fluoro-4-(propylcarbamoyl)phenyl]pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 68892077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).