(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H37N5O3 — CID 92741114

IUPAC(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H37N5O3/c1-26(25(33)27-20-7-4-3-5-8-20)19-30-21(23-9-6-18-34-23)10-11-22(30)24(32)31(26)17-16-29-14-12-28(2)13-15-29/h6,9-11,18,20H,3-5,7-8,12-17,19H2,1-2H3,(H,27,33)/t26-/m1/s1
InChIKeyVSMWLQIHIHIPSU-AREMUKBSSA-N
MW467.61 g/mol
LogP2.66
Rot. Bonds6

About (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741114) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741114
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H37N5O3/c1-26(25(33)27-20-7-4-3-5-8-20)19-30-21(23-9-6-18-34-23)10-11-22(30)24(32)31(26)17-16-29-14-12-28(2)13-15-29/h6,9-11,18,20H,3-5,7-8,12-17,19H2,1-2H3,(H,27,33)/t26-/m1/s1
InChIKeyVSMWLQIHIHIPSU-AREMUKBSSA-N
XLogP2.66
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-piperidin-1-ylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274384
N-cyclohexyl-6-(furan-2-yl)-2-[2-(furan-2-yl)ethyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46261229
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734799
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741302
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554279
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704978
(3R)-N-cyclohexyl-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741019
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734796
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274227
(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741008

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741114) is (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CN1CCN(CCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VSMWLQIHIHIPSU-AREMUKBSSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-26(25(33)27-20-7-4-3-5-8-20)19-30-21(23-9-6-18-34-23)10-11-22(30)24(32)31(26)17-16-29-14-12-28(2)13-15-29/h6,9-11,18,20H,3-5,7-8,12-17,19H2,1-2H3,(H,27,33)/t26-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).