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5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide

C26H30FN7O2 — CID 158517171

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccn(C)n2)n1
InChIInChI=1S/C26H30FN7O2/c1-15-17(13-21(35)19-8-7-18(12-20(19)27)16-5-6-16)4-3-10-34(15)23-14-29-24(25(28)36)26(31-23)30-22-9-11-33(2)32-22/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H2,28,36)(H,30,31,32)/t15-,17+/m1/s1
InChIKeyHLTROLVSDKSGRG-WBVHZDCISA-N
MW491.57 g/mol
LogP3.95
Rot. Bonds8

About 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 158517171) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID158517171
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide
SMILESC[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccn(C)n2)n1
InChIInChI=1S/C26H30FN7O2/c1-15-17(13-21(35)19-8-7-18(12-20(19)27)16-5-6-16)4-3-10-34(15)23-14-29-24(25(28)36)26(31-23)30-22-9-11-33(2)32-22/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H2,28,36)(H,30,31,32)/t15-,17+/m1/s1
InChIKeyHLTROLVSDKSGRG-WBVHZDCISA-N
XLogP3.95
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide (CID 158517171) is 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccn(C)n2)n1.
What is the InChIKey of 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is HLTROLVSDKSGRG-WBVHZDCISA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-15-17(13-21(35)19-8-7-18(12-20(19)27)16-5-6-16)4-3-10-34(15)23-14-29-24(25(28)36)26(31-23)30-22-9-11-33(2)32-22/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H2,28,36)(H,30,31,32)/t15-,17+/m1/s1.
What are the key properties of 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide?
5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 158517171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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