(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C24H26ClF2N5O4 — CID 155254244

IUPAC(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC1CCC(N2CCN(c3cnc(C(F)F)cn3)C2=O)CC1)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H26ClF2N5O4/c25-13-1-6-19-16(9-13)18(33)10-20(36-19)23(34)30-14-2-4-15(5-3-14)31-7-8-32(24(31)35)21-12-28-17(11-29-21)22(26)27/h1,6,9,11-12,14-15,18,20,22,33H,2-5,7-8,10H2,(H,30,34)/t14?,15?,18-,20-/m1/s1
InChIKeyRBHBDQWMZHXHCK-XUGKHLCVSA-N
MW521.95 g/mol
LogP3.62
Rot. Bonds5

About (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254244) has the molecular formula C24H26ClF2N5O4 and a molecular weight of 521.95 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254244
Molecular FormulaC24H26ClF2N5O4
Molecular Weight521.95 g/mol
Exact Mass521.16
IUPAC Name(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC1CCC(N2CCN(c3cnc(C(F)F)cn3)C2=O)CC1)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C24H26ClF2N5O4/c25-13-1-6-19-16(9-13)18(33)10-20(36-19)23(34)30-14-2-4-15(5-3-14)31-7-8-32(24(31)35)21-12-28-17(11-29-21)22(26)27/h1,6,9,11-12,14-15,18,20,22,33H,2-5,7-8,10H2,(H,30,34)/t14?,15?,18-,20-/m1/s1
InChIKeyRBHBDQWMZHXHCK-XUGKHLCVSA-N
XLogP3.62
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.95
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254244) is (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC1CCC(N2CCN(c3cnc(C(F)F)cn3)C2=O)CC1)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RBHBDQWMZHXHCK-XUGKHLCVSA-N. The full InChI is InChI=1S/C24H26ClF2N5O4/c25-13-1-6-19-16(9-13)18(33)10-20(36-19)23(34)30-14-2-4-15(5-3-14)31-7-8-32(24(31)35)21-12-28-17(11-29-21)22(26)27/h1,6,9,11-12,14-15,18,20,22,33H,2-5,7-8,10H2,(H,30,34)/t14?,15?,18-,20-/m1/s1.
What are the key properties of (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 521.95 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-N-[4-[3-[5-(difluoromethyl)pyrazin-2-yl]-2-oxoimidazolidin-1-yl]cyclohexyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).